bluuebunny/crossref_metadata_2025 huggingface dataset:
Vacancy control in acene blends links exothermic singlet fission to coherence
Authors: Zeiser Clemens , Cruz Chad , Reichman David R. , Seitz Michael , Hagenlocher Jan , Chronister Eric L. , Bardeen Christopher J. , Tempelaar Roel , Broch Katharina
Published: August 2021

The fission of singlet excitons into triplet pairs in organic materials holds great technological promise, but the rational application of this phenomenon is hampered by a lack of understanding of its complex photophysics. Here, we use the controlled introduction of vacancies by means of spacer molecules in tetracene and pentacene thin films as a tuning parameter complementing experimental observables to identify the operating principles of different singlet fission pathways. Time-resolved spectroscopic measurements in combination with microscopic modelling enables us to demonstrate distinct scenarios, resulting from different singlet-to-triplet pair energy alignments. For pentacene, where fission is exothermic, coherent mixing between the photoexcited singlet and triplet-pair states is promoted by vibronic resonances, which drives the fission process with little sensitivity to the vacancy concentration. Such vibronic resonances do not occur for endothermic materials such as tetracene, for which we find fission to be fully incoherent; a process that is shown to slow down with increasing vacancy concentration.
Autonomous DNA nanostructures instructed by hierarchically concatenated chemical reaction networks
Authors: Deng Jie , Walther Andreas
Published: August 2021

Concatenation and communication between chemically distinct chemical reaction networks (CRNs) is an essential principle in biology for controlling dynamics of hierarchical structures. Here, to provide a model system for such biological systems, we demonstrate autonomous lifecycles of DNA nanotubes (DNTs) by two concatenated CRNs using different thermodynamic principles: (1) ATP-powered ligation/restriction of DNA components and (2) input strand-mediated DNA strand displacement (DSD) using energy gains provided in DNA toeholds. This allows to achieve hierarchical non-equilibrium systems by concurrent ATP-powered ligation-induced DSD for activating DNT self-assembly and restriction-induced backward DSD reactions for triggering DNT degradation. We introduce indirect and direct activation of DNT self-assemblies, and orthogonal molecular recognition allows ATP-fueled self-sorting of transient multicomponent DNTs. Coupling ATP dissipation to DNA nanostructures via programmable DSD is a generic concept which should be widely applicable to organize other DNA nanostructures, and enable the design of automatons and life-like systems of higher structural complexity.
A new approach to improve the hemodynamic assessment of cardiac function independent of respiratory influence
Authors: Ogilvie Leslie M. , Edgett Brittany A. , Gray Simon , Al-Mufty Sally , Huber Jason S. , Brunt Keith R. , Simpson Jeremy A.
Published: August 2021

Cardiovascular and respiratory systems are anatomically and functionally linked; inspiration produces negative intrathoracic pressures that act on the heart and alter cardiac function. Inspiratory pressures increase with heart failure and can exceed the magnitude of ventricular pressure during diastole. Accordingly, respiratory pressures may be a confounding factor to assessing cardiac function. While the interaction between respiration and the heart is well characterized, the extent to which systolic and diastolic indices are affected by inspiration is unknown. Our objective was to understand how inspiratory pressure affects the hemodynamic assessment of cardiac function. To do this, we developed custom software to assess and separate indices of systolic and diastolic function into inspiratory, early expiratory, and late expiratory phases of respiration. We then compared cardiac parameters during normal breathing and with various respiratory loads. Variations in inspiratory pressure had a small impact on systolic pressure and function. Conversely, diastolic pressure strongly correlated with negative inspiratory pressure. Cardiac pressures were less affected by respiration during expiration; late expiration was the most stable respiratory phase. In conclusion, inspiration is a large confounding influence on diastolic pressure, but minimally affects systolic pressure. Performing cardiac hemodynamic analysis by accounting for respiratory phase yields more accuracy and analytic confidence to the assessment of diastolic function.
Engineering and functional characterization of a proton-driven β-lactam antibiotic translocation module for bionanotechnological applications
Authors: Stauffer Mirko , Ucurum Zöhre , Harder Daniel , Fotiadis Dimitrios
Published: August 2021

Novel approaches in synthetic biology focus on the bottom-up modular assembly of natural, modified natural or artificial components into molecular systems with functionalities not found in nature. A possible application for such techniques is the bioremediation of natural water sources contaminated with small organic molecules (e.g., drugs and pesticides). A simple molecular system to actively accumulate and degrade pollutants could be a bionanoreactor composed of a liposome or polymersome scaffold combined with energizing- (e.g., light-driven proton pump), transporting- (e.g., proton-driven transporter) and degrading modules (e.g., enzyme). This work focuses on the engineering of a transport module specific for β-lactam antibiotics. We previously solved the crystal structure of a bacterial peptide transporter, which allowed us to improve the affinity for certain β-lactam antibiotics using structure-based mutagenesis combined with a bacterial uptake assay. We were able to identify specific mutations, which enhanced the affinity of the transporter for antibiotics containing certain structural features. Screening of potential compounds allowed for the identification of a β-lactam antibiotic ligand with relatively high affinity. Transport of antibiotics was evaluated using a solid-supported membrane electrophysiology assay. In summary, we have engineered a proton-driven β-lactam antibiotic translocation module, contributing to the growing toolset for bionanotechnological applications.
Acacia hydaspica R. Parker ethyl-acetate extract abrogates cisplatin-induced nephrotoxicity by targeting ROS and inflammatory cytokines
Authors: Afsar Tayyaba , Razak Suhail , Aldisi Dara , Shabbir Maria , Almajwal Ali , Al Kheraif Abdulaziz Abdullah , Arshad Mohammed
Published: August 2021

Cisplatin (CisPT) is a chemotherapeutic drug that outcomes in adverse effects. In this study, we examined the effect ofA. hydaspicaethyl acetate extract (AHE) in an animal model of cisplatin-induced acute kidney injury (AKI). 36 male Sprague Dawley rats were used in the AKI rat model, and CisPT (7.5 mg/kg BW, i.p) single dose was given. In the pretreatment module, AHE (400 mg/kgBW/day, p.o) was given for 7 days before and after CisPT injection. While in the post-treatment group AHE was administered for 7 days after a single CisPT shot. The standard group received silymarin (100 mg/kg BW, p.o) for 7 days before and after CisPT injection. In HCT 116 tumor xenografts (n = 32) two groups of mice were pretreated with 400 mg/kg AHE orally for 7 days and two groups were treated with distilled water. On day 7 of pretreatment one distilled water and one AHE pretreated group were injected i.p with 15 mg/kg bw dose followed by another dose of CisPT 2 wk later. AHE groups were additionally treated with 400 mg/kg AHE for 3 days/week for 2 weeks. CisPT significantly deteriorated renal function parameters, i.e., PH, specific gravity, total protein, albumin, urea, creatinine, uric acid, globulin and blood urea nitrogen. CisPT treatment increased oxidative stress markers, while lower renal antioxidant enzymes. AHE pretreatment ameliorates significantly (p < 0.0001) CisPT-induced alterations in serum and urine markers for kidney function. Furthermore, AHE pretreatment more efficiently (p < 0.001) decreases oxidative stress markers, attenuate NF-κB, and IL-6 protein and mRNA expression by augmenting antioxidant enzyme levels compared to post-treatment. The histological observations verified the protective effect of AHE. In tumor xenograft mice, AHE treatment significantly reduced CisPT induced oxidative stress while it did not interfere with the anticancer efficacy of cisplatin as shown by significance (p < 0.001) decrease in tumor size after treatment.A. hydaspicaAHE might provide a prospective adjuvant that precludes CisPT-induced nephrotoxicity without compromising its antitumor potential.
Quantification of energy input required for chitin nanocrystal aggregate size reduction through ultrasound
Authors: Colijn Ivanna , Fokkink Remco , Schroën Karin
Published: August 2021

Nanoparticles have been claimed to contribute efficiently to e.g. the mechanical strength of composite materials when present as individual particles. However, these particles tend to aggregate. In this paper we prepare nanocrystals from chitin, a product with high potential added value for application in bio-based materials, and investigate the effect of ultrasound on de-aggregation. Chitin nanocrystals with a length ~ 200 nm and a diameter ~ 15 nm, were obtained via acid hydrolysis of crude chitin powder. Freeze drying resulted in severe aggregation and after redispersion sizes up to ~ 200 µm were found. Ultrasound treatment was applied and break up behaviour was investigated using static light scattering, dynamic light scattering, and laser diffraction. Our results suggest that the cumulative energy input was the dominant factor for chitin nanocrystal aggregate breakup. When a critical energy barrier of ~ 100 kJ/g chitin nanocrystals was exceeded, the chitin nanocrystal aggregates broke down to nanometre range. The break up was mostly a result of fragmentation: the aggregation energy of chitin nanocrystal aggregates was quantified to be ~ 370 kJ/g chitin nanocrystals and we hypothesize that mainly van der Waals interactions and hydrogen bonds are responsible for aggregation.
Neurofeedback training improves episodic and semantic long-term memory performance
Authors: Tseng Yu-Hsuan , Tamura Kaori , Okamoto Tsuyoshi
Published: August 2021

Understanding and improving memory are vital to enhance human life. Theta rhythm is associated with memory consolidation and coding, but the trainability and effects on long-term memory of theta rhythm are unknown. This study investigated the ability to improve long-term memory using a neurofeedback (NFB) technique reflecting the theta/low-beta power ratio on an electroencephalogram (EEG). Our study consisted of three stages. First, the long-term memory of participants was measured. In the second stage, the participants in the NFB group received 3 days of theta/low-beta NFB training. In the third stage, the long-term memory was measured again. The NFB group had better episodic and semantic long-term memory than the control group and significant differences in brain activity between episodic and semantic memory during the recall tests were revealed. These findings suggest that it is possible to improve episodic and semantic long-term memory abilities through theta/low-beta NFB training.
Predicting postoperative pain following root canal treatment by using artificial neural network evaluation
Authors: Gao Xin , Xin Xing , Li Zhi , Zhang Wei
Published: August 2021

This study aimed to evaluate the accuracy of back propagation (BP) artificial neural network model for predicting postoperative pain following root canal treatment (RCT). The BP neural network model was developed using MATLAB 7.0 neural network toolbox, and the functional projective relationship was established between the 13 parameters (including the personal, inflammatory reaction, operative procedure factors) and postoperative pain of the patient after RCT. This neural network model was trained and tested based on data from 300 patients who underwent RCT. Among these cases, 210, 45 and 45 were allocated as the training, data validation and test samples, respectively, to assess the accuracy of prediction. In this present study, the accuracy of this BP neural network model was 95.60% for the prediction of postoperative pain following RCT. To conclude, the BP network model could be used to predict postoperative pain following RCT and showed clinical feasibility and application value.
Mediation effects of mean Hounsfield unit on relationship between hemoglobin and expansion of intracerebral hemorrhage
Authors: Kim Yong Soo , Jeong Han-Gil , Chae Hee-Yun , Kim Beom Joon , Kang Jihoon , Kim Jun Yup , Kim Tackeun , Bang Jae Seung , Bae Hee-Joon , Oh Chang Wan , Han Moon-Ku
Published: August 2021

Low hemoglobin levels are known to be associated with hematoma expansion (HE) and poor functional outcome in patients with intracerebral hemorrhage (ICH). However, it is not yet known whether low hemoglobin itself causes HE directly or is merely a confounder. Thus, we investigated the mediation effect of the mean Hounsfield unit (HU) of hematoma on the relationship between low hemoglobin and expansion of ICH. Overall, 232 consecutive patients with ICH who underwent non-contrast computed tomography (NCCT) within 12 h since onset were included. The mean HU and hematoma volume on NCCT were investigated using semi-automated planimetry. HE was defined as an increase in hematoma volume > 33% or 6 mL. The respective associations among the hemoglobin level, mean HU, and HE were analyzed using multivariable regression analysis, adjusting for age, sex, and known HE predictors. Mediation analysis was performed to examine the potential causal association among the three. HE occurred in 34.5% of patients; hemoglobin levels were inversely associated with HE occurrence (adjusted odds ratio, 0.90; p = 0.03). The mean HU of the hematoma was lower in patients with HE than in patients without HE (58.5 ± 3.3 vs. 56.8 ± 3.0; p < 0.01). Hemoglobin levels on admission were linearly related to the mean HU (adjusted β, 0.33; p < 0.01) after adjusting for known HE predictors (time from onset to CT, antithrombotic use, hematoma volume). Causal mediation analysis showed a significant mediation effect of the mean HU on the association between hemoglobin levels and HE (p = 0.04). The proportion of indirect effect through the mean HU among the total effect was 19% (p = 0.05). The mediation effect became nonsignificant in the when the multivariable model was adjusted with additional covariates (baseline systolic blood pressure and hematoma location). The mean HU of the hematoma mediated the association between hemoglobin levels and HE occurrence. Therefore, the mean HU of the hematoma may be a potential marker of impaired hemostasis in patients with ICH.
In vitro testing of silver-containing spacer in periprosthetic infection management
Authors: Krassnig Renate , Hohenberger Gloria , Schwarz Angelika , Goessler Walter , Feierl Gebhard , Wildburger Renate , Windhager Reinhard
Published: August 2021

Deep infection is a serious complication in endoprosthetic surgery. In correlation to the patient local or systemic compromising factors conservative and surgical proceedings has to be evaluated. Systemic antibiotic therapy is the gold standard in infection management. Implanted silver-coated or silver-containing medical devices have been proven to their antimicrobial effectiveness since the 1990s by several investigators. The outcomes showed that long time implantation could cause damaging of the surrounding tissues, especially of adjacent nerves. The aim of our study was to evaluate the release of silver (I) ions from bone cement mixed with either nanosilver particles (AgNPs), different concentrations of silver sulfate (Ag2SO4) or from pure metallic silver strips. Therefore, we choose two methods: the first, called “static model”, was chosen to evaluate the maximal accumulative concentration of silver (I) ions, with the second, called “dynamic model”, we simulated a continuous reduction of the ions. In an additional test design, the different materials were evaluated for their antimicrobial activity using an agar gel diffusion assay. The outcome showed that neither the addition of 1% (w/w) nanosilver nor 0.1% silver sulfate (w/w) to polymethylmethacrylat bone cement has the ability to release silver (I) ions in a bactericidal/antifungal concentration. However, the results also showed that the addition of 0.5% (w/w) and 1% (w/w) silver sulfate (Ag2SO4) to bone cement is an effective amount of silver for use as a temporary spacer.
Association between serum α1-antitrypsin levels and all-cause mortality in the general population: the Nagahama study
Authors: Tabara Yasuharu , Setoh Kazuya , Kawaguchi Takahisa , Kosugi Shinji , Nakayama Takeo , Matsuda Fumihiko
Published: August 2021

Circulating levels of inflammatory proteins have to be prognostic markers of all-cause mortality. α1-Antitrypsin (AAT) is a major inflammatory plasma protein, but its association with all-cause mortality is unclear. We aimed to evaluate the prognostic significance of AAT levels for all-cause mortality. Study participants comprised 9682 community residents (53.5 ± 13.3 years old). During the 9.8-year follow-up period, 313 participants died from any cause. The mortality rate increased linearly with AAT quintiles (Q1, 18.2; Q2, 24.7; Q3, 23.8; Q4, 31.9; Q5, 64.6 per 10,000 person-years). There were significant correlations between AAT and high-sensitivity C-reactive protein (hsCRP) levels (correlation coefficient, 0.331; P < 0.001). However, the Cox model analysis, when adjusted for possible covariates including hsCRP, identified the fifth AAT quintile as a risk factor for all-cause death (hazard ratio, 2.12 [95% confidence interval, 1.41–3.18]; P < 0.001). An analysis of participants older than 50 years (hazard ratio, 1.98, P < 0.001) yielded similar results. The hazard ratio increased proportionately in combination with high AAT and high hsCRP levels, and the highest hazard ratio reached 4.51 (95% confidence interval, 3.14–6.54, P < 0.001). High AAT levels were determined to be an independent risk factor for mortality in the general population.
Neutrophil azurophilic granule glycoproteins are distinctively decorated by atypical pauci- and phosphomannose glycans
Authors: Reiding Karli R. , Lin Yu-Hsien , van Alphen Floris P. J. , Meijer Alexander B. , Heck Albert J. R.
Published: August 2021

While neutrophils are critical first-responders of the immune system, they also cause tissue damage and act in a variety of autoimmune diseases. Many neutrophil proteins are N-glycosylated, a post-translational modification that may affect, among others, enzymatic activity, receptor interaction, and protein backbone accessibility. So far, a handful neutrophil proteins were reported to be decorated with atypical small glycans (paucimannose and smaller) and phosphomannosylated glycans. To elucidate the occurrence of these atypical glycoforms across the neutrophil proteome, we performed LC-MS/MS-based (glyco)proteomics of pooled neutrophils from healthy donors, obtaining site-specific N-glycan characterisation of >200 glycoproteins. We found that glycoproteins that are typically membrane-bound to be mostly decorated with high-mannose/complex N-glycans, while secreted proteins mainly harboured complex N-glycans. In contrast, proteins inferred to originate from azurophilic granules carried distinct and abundant paucimannosylation, asymmetric/hybrid glycans, and glycan phosphomannosylation. As these same proteins are often autoantigenic, uncovering their atypical glycosylation characteristics is an important step towards understanding autoimmune disease and improving treatment.
A sustainable strategy for Open Streets in (post)pandemic cities
Authors: Rhoads Daniel , Solé-Ribalta Albert , González Marta C. , Borge-Holthoefer Javier
Published: August 2021

Cities world-wide have taken the opportunity presented by the COVID-19 pandemic to improve and expand pedestrian infrastructure, providing residents with a sense of relief and pursuing long-standing goals to decrease automobile dependence and increase walkability. So far, due to a scarcity of data and methodological shortcomings, these efforts have lacked the system-level view of treating sidewalks as a network. Here, we leverage sidewalk data from ten cities in three continents, to first analyse the distribution of sidewalk and roadbed geometries, and find that cities present an unbalanced distribution of public space, favouring automobiles at the expense of pedestrians. Next, we connect these geometries to build a sidewalk network –adjacent, but irreducible to the road network. Finally, we compare a no-intervention scenario with a shared-effort heuristic, in relation to the performance of sidewalk infrastructures to guarantee physical distancing. The heuristic prevents the sidewalk connectivity breakdown, while preserving the road network’s functionality.
Quantitative manganese dissolution investigation in lithium-ion batteries by means of X-ray spectrometry techniques
Authors: Zech Claudia , Evertz Marco , Börner Markus , Kayser Yves , Hönicke Philipp , Winter Martin , Nowak Sascha , Beckhoff Burkhard
Published: August 2021

The manganese deposition of an aged anode has been investigated with K-edge and L-edge NEXAFS to determine the manganese species. In addition, the absolute amount of manganese could be revealed with reference-free X-ray fluorescence analysis.
Mix-and-read bioluminescent copper detection platform using a caged coelenterazine analogue
Authors: Nishihara Ryo , Kurita Ryoji
Published: August 2021

Bioluminescence (BL) detection of copper in human serum was achieved by developing a caged luciferin. The luciferin reacts only with copper and exhibits luminescence with human serum albumin, which provides a “luciferase-independent” BL copper assay.
A poly(3,4-ethylenedioxythiophene)/carbon nanotube hybrid film for electrocatalytic determination of tertiary butylhydroquinone
Authors: Wang Cunli , Zhu Fudan , Yu Zhe , Zhou Xian , Cheng Wenjing , Yang Fengchun , Zhang Xin
Published: August 2021

A TBHQ electrochemical sensor was constructed by one-step electrodeposition of a PEDOT–CNT hybrid film. Additionally, the binding mechanism of PEDOT–CNT has also been discussed briefly.
Thiol-mediated etching of gold nanorods as a neoteric strategy for room-temperature and multicolor detection of nitrite and nitrate
Authors: Sepahvand Marzieh , Ghasemi Forough , Seyed Hosseini Hossein Mir
Published: August 2021

Thiourea as a sulfur-containing compound accelerates the etching rate of gold nanorods (AuNRs) leading to a wide color change from brown to light brown, green, blue, purple, pink, and colorless.
Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors
Authors: Schneider Anselm F. L. , Kallen Joerg , Ottl Johannes , Reid Patrick C. , Ripoche Sebastien , Ruetz Stephan , Stachyra Therese-Marie , Hintermann Samuel , Dumelin Christoph E. , Hackenberger Christian P. R. , Marzinzik Andreas L.
Published: August 2021

mRNA display leads to the identification of a macrocyclic peptide inhibitor with a unique binding mode to MDM2, a negative regulator of the tumor suppressor p53. Conjugation to a cell-penetrating peptide allows in cellulo evaluation of inhibition.
A Prussian blue-doped RGO/MXene composite aerogel with peroxidase-like activity for real-time monitoring of H2O2 secretion from living cells
Authors: Zhao Peng , Jia Yuanyuan , Liang Yi , Zheng Jilin , Yang Mei , Huo Danqun , Wang Yongzhong , Hou Changjun
Published: August 2021

A 3D PB/RGO/MXene composite aerogel with peroxidase-like activity for real-time monitoring of H2O2 secretion from living cells is reported.
Desolvation induced crystal jumping: reversible hydration and dehydration of a spironolactone–saccharin cocrystal with water as the jumping-mate
Authors: Chen Yifu , Jing Bo , Chang Zewei , Gong Junbo
Published: August 2021

We present a spironolactone–saccharin cocrystal hydrate as the first example of a crystal that jumps without changes in either the lattice parameter or the molecular conformation to highlight the unique advantages of the jumping-mate strategy.
A theoretical study on the intercalation and diffusion of AlF3 in graphite: its application in rechargeable batteries
Authors: Rodríguez Sindy J. , Candia Adriana E. , Passeggi Mario C. G. , Albanesi Eduardo A. , Ruano Gustavo D.
Published: August 2021

Using first-principles calculations based on density functional theory (DFT), we study the aluminum fluoride (AlF3) intercalation in graphite as a new possibility to use this molecule in rechargeable batteries, and understand its role when used as a component of the solvent.
Transient absorption, femtosecond dynamics, vibrational coherence and molecular modelling of the photoisomerization of N-salicylidene-o-aminophenol in solution
Authors: Petkov Nikolai , Ivanova Anela , Trifonov Anton A. , Buchvarov Ivan C. , Stanimirov Stanislav S.
Published: August 2021

This article presents a study of the excited state relaxation dynamics of N-salicylidene-o-aminophenol (SOAP) in ethanol solution.
A fixed multi-site interaction charge model for an accurate prediction of the QM/MM interactions
Authors: Wang Xianwei , Li Xilong , He Xiao , Zhang John Z. H.
Published: August 2021

A fixed multi-site interaction charge (FMIC) model was developed for the accurate prediction of the QM/MM interactions.
Unraveling the structural transition mechanism of room-temperature compressed graphite carbon
Authors: Zhu Sheng-cai , Hu Qing-yang
Published: August 2021

We resolve the transition pathway of compressed graphite, whose complex high-pressure structure is formed by shearing the boat architecture without nuclei core and controlled by local strain and crystal orientation.
In vivo and in vitro comparison of three astilbin encapsulated zein nanoparticles with different outer shells
Authors: Ruan Yi-Ting , Wang Wen-jun , Zheng Guo-Dong , Yin Zhong-Ping , Chen Ji-Guang , Li Jing-En , Chen Ling-Li , Zhang Qing-Feng
Published: August 2021

Three shell materials, lecithin (ZNP–L), chitosan (ZNP–CH) and sodium caseinate (ZNP–SC), were used to prepare core–shell zein nanoparticles.
Functionalized graphene oxide materials for the fluorometric sensing of various analytes: a mini review
Authors: Suguna Sivasubramanian , David Charles Immanuel , Prabhu Jeyaraj , Nandhakumar Raju
Published: August 2021

In this review, we critically discuss the sensitive and selective recognition of biologically and environmentally important varied analytes based on the functionalized graphene oxide (GO) materials due to their ubiquitous advantage among the diverse nanomaterials.
Enhancement of the VIS-NIR absorption in a sulfurated-high-entropy film
Authors: Ren Jie , Song Ping , Wang Cong , Sun Ying , Zhang Yong , Bousquet Angélique , Tomasella Eric
Published: August 2021

After sulfuration, the average absorptance of the (NiCrCuFeSi)OS films can reach up to 0.90 in the range of 300–1700 nm.
Catalyst-free and multicomponent synthesis of 3-aminoalkylated indolesviaa Mannich-type reaction: multitargeted anticancer, tyrosinase and α-glucosidase inhibitory activities
Authors: Huynh Thi-Kim-Chi , Ngo Kim-Khanh-Huy , Nguyen Hoang-Phuc , Dang Hoai-Khanh , Phung Van-Trung , Thai Khac-Minh , Hoang Thi-Kim-Dung
Published: August 2021

3-Aminoalkylated indoles, synthesizedviaa multicomponent Mannich-like reaction, are evaluated for enzyme inhibition;5eand5fare shown to be prospective multitargeted anticancer agents, and the cytotoxic mechanism of action is demonstratedviamolecular docking study.
Insights into the kinetics and molecular mechanism of the Newman–Kwart rearrangement
Authors: Sanie Mitra , Zahedi Ehsan , Ghorbani Seyed Hosein , Seif Ahmad
Published: August 2021

Kinetics and molecular mechanism of the Newman–Kwart rearrangement (NKR) ofN,N-dimethylO-arylthiocarbamate intoN,N-dimethylS-arylcarbamate have been investigated theoretically.
Surface enhanced Raman scattering of extracellular vesicles for cancer diagnostics despite isolation dependent lipoprotein contamination
Authors: Koster Hanna J. , Rojalin Tatu , Powell Alyssa , Pham Dina , Mizenko Rachel R. , Birkeland Andrew C. , Carney Randy P.
Published: August 2021

SERS can “see through” varying lipoprotein contamination present in extracellular vesicles isolated from cancer patient samples for accurate diagnostic classification.
Intranasal delivery of self-assembled nanoparticles of therapeutic peptides and antagomirs elicits anti-tumor effects in an intracranial glioblastoma model
Authors: Ha Junkyu , Kim Minkyung , Lee Youngki , Lee Minhyung
Published: August 2021

Self-assembled nanoparticles were produced solely with therapeutic agents, antagomir-21 and RAP. The therapeutic effects of the nanoparticles by intranasal delivery were evaluated in intracranial glioblastoma animal models.
Rapid bacterial elimination achieved by sonodynamic Au@Cu2O hybrid nanocubes
Authors: Zhu Yizhou , Hong Wanglong , Liu Xiangmei , Tan Lei , Wu Jun , Mao Congyang , Xiang Yiming , Wu Shuilin , Cheung Kenneth M. C. , Yeung Kelvin W. K.
Published: August 2021

With the boosted sonocatalytic activity established by the interfacial Schottky junction, the Au@Cu2O hybrid nanocubes can substantially produce reactive oxygen species under ultrasound stimulation so as to eliminate incoming bacteria rapidly.
Synthesis and characterization of amide-bridged colorless polyimide films with low CTE and high optical performance for flexible OLED displays
Authors: Yang Zhenghui , Guo Haiquan , Kang Chuanqing , Gao Lianxun
Published: August 2021

Starting from three novel amide-incorporating dianhydride monomers, we synthesized a series of amide-bridged cPI films that have ultra-low CTE and high Tg due to the formation of hydrogen bonds as well as great optical performance.
Low content Ru-incorporated Pd nanowires for bifunctional electrocatalysis
Authors: Kweon Yongdeog , Noh Sunguk , Shim Jun Ho
Published: August 2021

The catalytic activity of Pd nanowires with low Ru contents showed superior bifunctional electrocatalytic performance towards both ORR and HER compared to the benchmarking Pt/C.
Post-translational modifications and stabilization of microtubules regulate transport of viral factors during infections
Authors: Requena Silvia , Sánchez-Madrid Francisco , Martín-Cófreces Noa B.
Published: August 2021

Tubulin post-translational modifications (PTMs) constitute a source of diversity for microtubule (MT) functions, in addition to the different isotypes of α and β-tubulin acting as building blocks of MTs. Also, MT-associated proteins (MAPs) confer different characteristics to MTs. The combination of all these factors regulates the stability of these structures that act as rails to transport organelles within the cell, facilitating the association of motor complexes. All these functions are involved in crucial cellular processes in most cell types, ranging from spindle formation in mitosis to the defense against incoming cellular threats during phagocytosis mediated by immune cells. The regulation of MT dynamics through tubulin PTMs has evolved to depend on many different factors that act in a complex orchestrated manner. These tightly regulated processes are particularly relevant during the induction of effective immune responses against pathogens. Viruses have proved not only to hijack MTs and MAPs in order to favor an efficient infection, but also to induce certain PTMs that improve their cellular spread and lead to secondary consequences of viral processes. In this review, we offer a perspective on relevant MT-related elements exploited by viruses.
Concise guide for electronic topological transitions
Authors: Varlamov A. A. , Galperin Y. M. , Sharapov S. G. , Yerin Yuriy
Published: August 2021

In this short review we pass through the milestones in the studies of the electronic topological transitions (ETT) and focus on some recent applications of the ideas worked out in their classical theory. These are: two-dimensional electron systems, de Haas-van Alphen effect, classification of ETT in multidimensional systems, superconductivity in systems close to ETT, and thermoelectricity in heavy-fermion systems where the cascades of topological changes of Fermi surface (FS) are generated by magnetic field. The history of studies of ETT is inextricably linked with Kharkov school of condensed matter physics, with such names as I. M. Lifshitz, V. G. Bar’yakhtar, and many other. Among them is Moisey Isaakovich Kaganov, who contributed much in the studies of the role of geometry and topology of FS in physical properties of the metals. Two of the authors (A.V. and Y.G.) had the honor and pleasure to work with M. I. Kaganov — Y. M. Blanter, M. I. Kaganov, A. V. Pantsulaya, and A. A. Varlamov, Phys. Rep. 245, 159 (1994);1 all of us have been learning the niceties of science from his books. “The Fermi surface is the stage on which the drama of the life of the electron is played out” wrote Kaganov and Lifshitz. We devote this work to their memory.
Theory and simulations of homonuclear three-spin systems in rotating solids
Authors: Simões de Almeida Bruno , Moutzouri Pinelopi , Stevanato Gabriele , Emsley Lyndon
Published: August 2021

The homonuclear dipolar coupling is the internal spin interaction that contributes the most to the line shapes in magic-angle-spinning (MAS) 1H NMR spectra of solids, and linewidths typically extend over several hundred Hertz, limiting the 1H resolution. Understanding and reducing this contribution could provide rich structural information for organic solids. Here, we use average Hamiltonian theory to study two- and three-spin systems in the fast MAS regime. Specifically, we develop analytical expressions to third order in the case of two and three inequivalent spins (I = ½). The results show that the full third-order expression of the Hamiltonian, without secular approximations or truncation to second order, is the description that agrees the best, by far, with full numerical calculations. We determine the effect on the NMR spectrum of the different Hamiltonian terms, which are shown to produce both residual shifts and splittings in the three-spin systems. Both the shifts and splittings have a fairly complex dependence on the spinning rate with the eigenstates having a polynomial ωr dependence. The effect on powder line shapes is also shown, and we find that the anisotropic residual shift does not have zero average so that the powder line shape is broadened and shifted from the isotropic position. This suggests that in 1H MAS spectra, even at the fastest MAS rates attainable today, the positions observed are not exactly the isotropic shifts.
Functional heterogeneity of IFN-γ–licensed mesenchymal stromal cell immunosuppressive capacity on biomaterials
Authors: Kwee Brian J. , Lam Johnny , Akue Adovi , KuKuruga Mark A. , Zhang Kunyu , Gu Luo , Sung Kyung E.
Published: August 2021

Significance

Although mesenchymal stromal cell (MSC) therapies, with and without biomaterials, have shown success in preclinical models of inflammatory diseases, they have not shown consistent efficacy in clinical trials for these diseases. This is potentially due to variations in the therapeutic properties of MSCs from different donor patients and amongst different MSC subpopulations. Here, we show that the immunosuppressive function of MSCs stimulated with interferon-gamma depends on specific integrin engagement with the biomaterials they are cultured on. Furthermore, the amount of integrin expression on the cells can predict the magnitude of immunosuppressive function of the MSCs on the biomaterials. This may lead to methods to enrich for MSC subpopulations within each donor that have high immunosuppressive function on biomaterials.
A Sustainable Model of Urban Public Mobility in Uzbekistan
Authors: Berdiyorov A , Berdiyorov T , Nasritdinov J , Qarshiboev S , Ergashkxodjaeva S
Published: August 2021

New mobility technologies and solutions are revolutionizing the way people and goods move around cities. However, due to their lack of maturity, they are not able to respond to the growing needs and challenges of urban public mobility and are adding even more pressure. As a result, the urban mobility model remains under stress, with increasing levels of congestion, pollution and accidents. This stress will be further increased by increased urban concentration and economic activity resulting from new consumption patterns. In this article, solutions and initiatives are proposed that will enable Uzbekistan cities to be equipped with an integral model of social and sustainable mobility.
Investigative study of Periodic Thermal and Mechanical Characteristics of Fiber Reinforced Concrete
Authors: Malagavelli Venu , Siva Rama Krishna S , Jagadish Babu A , Bala Krishna Ch
Published: August 2021

Concrete is a key basic material in the mankind’s history. lt is a compound made by blending concrete which is a coupling material with fine, coarse aggregates and water in required extents. Concrete is great in strength. The investigation of submission to fire concrete incredibly expanded after 9-11 attack on the World Trade Centre. The Zeal towards structures for fire expanded rapidly. A portion of the limited component models of auxiliary made in deciding the temperatures in a segment by heat examination have been utilized by certain specialists. This paper gives a synopsis of conduct of cement concrete in fire. Concrete has high compressive quality, yet in addition essentially lower elasticity. The compressive quality is commonly controlled with the water, concrete proportion, while framing the solid. In this investigation three different grades of concrete i.e. M20, M25 and M30 used for the experiments. The specimens of all the grades are prepared with and without fibers. All the concrete samples are tested for the compressive strength, split tensile strength and flexural strength. The samples of concrete exposed to 200°C, 400°C and 600°C after 28 days of curing. The results show the reduction in hardened properties of concrete.
Managing Road Traffic Accidents: A Review on Its Contributing Factors
Authors: Dela Cruz Orlean G. , Padilla Juland A. , Victoria Armando N.
Published: August 2021

Traffic accidents contribute to any loss of life and property and loss of services. It occurs when a vehicle collides with another vehicle or objects. Some factors will establish, leading to injuries and even related accidents that can be avoided or minimized by employing appropriate measures. These damages resulted from the costs of recovery and reduced productivity. The Traffic Management Systems (TMS) for this analysis will base on a compilation of previous studies, and it will index the following crucial areas: (a) traffic accidents and their factors, and (b) safety models. Some of the gaps to be addressed include 1) unavailability of data for essential factors, 2) variation of the parameter used, and 3) complexity of the method used. This paper will help to the detailed analysis of the traffic management systems, outlining the fundamental problems and limitations of current systems and providing several avenues for enhancing the performance of traffic management systems.
Effect of Silica Fume on the Performance of Bacterial Concrete
Authors: Doshi Tejas , Patil Umesh P , Patil M B
Published: August 2021

The main aim of this experiment is to study the effect of bacteria on the strength and durability properties of normal and silica fume (SF) concrete. The experiment is carried out to evaluate influence of Pseudomonas putida bacteria on the compressive strength, shear strength, sulphate attack and water sorptivity on concrete. Cement was replaced with 20% SF by weight. Three different cell concentrations (103, 105, 107cells/ml) of bacteria were used in making the concrete mixes. The tests were carried out on the strength and durability properties after complete curing of 28 days. The inclusion of Pseudomonas putida in SF based concrete has an ability to enhance strength and improve durability of concrete. The study showed that concrete having bacterial infusion in all cell concentrations have increment in strength in comparison to reference mix. From the test results, it was concluded that, optimum cell concentration for concrete was found to be 105 cells/ml. The strength and durability properties were enhanced due to addition of bacteria in SF concrete compared to plain concrete. The calcite precipitation in concrete was visualized through SEM and is the reason for improvement in properties of concrete due to filling of pores by the growth of filler materials resulting in denser concrete.
Effect of Curing Methods on Fly Ash based Concrete
Authors: Sai Srinath BLN , Venkata Ramesh K , Patnaikuni Chandan Kumar , Soujanya Vani V , Potharaju M
Published: August 2021

Concrete is known to be is the most used construction material throughout the world to meet the needs of major infrastructure projects. Its superior structural strength and stability are mainly due to the presence of binding material cement. The production of cement accounts for large amounts of carbon-di-oxide throughout the world. This percentage is estimated to rise further increasing the CO2 levels in the coming future. It may not be avoided entirely, but it can be partially reduced by using supplementary cementitious materials. Fly ash is one such material that can be partially replaced with cement, with altering the strength of conventional concrete. Fly ash ranging from 0% to 50% was replaced with cement and the concrete was evaluated for compressive strength. Curing is also an essential factor in order to achieve the desired strength to the concrete. The heat produced during the hydration process needs to be brought down by curing, to maintain the favourable conditions for the surface of concrete. Various curing methods have been adopted, such as complete water immersion curing, 3-day water immersion curing, wet burlap curing, compound curing, and open-air curing. These specimens were tested for compression at 3 days, 7days and 28 days. It is concluded from the experimental results that at all ages, 20% fly ash replacement resulted in better strength. Complete water immersion curing proved to give better strength results, followed by wet burlap curing, 3-day immersion curing, compound curing, and open-air curing.
Study of environmental radioactivity and radon measurement associated health effect due to coal and fly ash samples
Authors: Singh L M , Singh K Y , Mahur A K
Published: August 2021

The increasing demand for electricity generation in India primarily depends on coal-fired power plants. The burning of coal is known as fly ash and a prominent factor of pollution in the environment. Fly ash generation in plants leads to the creation of radon and radionuclide, which affects the health of the general public. Since the general public around the area adjoining power plants are at considerable risk of radiation exposure. Also, inhalation of radon gas at a high level increases the possibility of lung cancer. So monitoring radon and radionuclide concentrations is essential. In the present investigation, radon and thoron exhalation rates have been estimated by implementing the accumulation method-based active technique. Natural radioactivity concentrations have been found out using NaI(Tl) detector-based gamma-ray spectrometry. Since the radiation hazard index is less than unity, so fly ash retains not a considerable amount of radiation effect. The result obtained concludes that radon/thoron exhalation rate and radioactivity concentration from fly ash residues are within the limits prescribed by the competent authority. So, the uses of fly ash in coal-based power plants cause no effectively adverse effect on health.
Evaluation of Strength Parameters of Metakaolin and Nanosilica Incorporated High-Performance Concrete
Authors: Gadag Pushpalatha R , Somasekharaiah H M , Ghorpade Vaishali , Sudarsana Rao H
Published: August 2021

This article presents the evalution of strength properties of High-Performance Concrete (HPC) due to the addition of nanosilica and metakaolin. Metakaolin partially replaces the cement at 10%, 20%, and 30% by weight. The addition proportions of nanosilica are 0%, 1. 5%, 3.0%, and 4.5% by weight of binder for each of the metakaolin replacement levels. Water-to-binder ratios of 0.3, 0.325, 0.35, 0.375, 0.4, and 0.425. The hardened HPC mixes were tested for their compressive, split tensile, and flexural strength at 7 and 28 days. Additionally, the compressive strength test was carried out after 90 days of curing to study the long-term strength development. The obtained results were compared with conventional concrete as a reference mix. HPC with 10% metakaolin, 3% nanosilica and 0.3 water-to-binder ratio yielded the best performance with 36.11%, 31.75% and 34.59% improvement in 7, 28 and 90 days compressive strength respectively. The improvement in split tensile strength were 25.24% and 40.26% at 7 and 28 days respectively. The flexural strength was enhanced by 41.10% and 30.30% at 7 and 28 days respectively. Furthermore, mathematical relationships between cube compressive strength and split tensile strength, flexural strength were derived from the experimental results of this investigation.
Studies on Effect of Recycled Aggregate on Deflection Characteristics of RC Slab
Authors: Poongodi K. , Revathi P. , Murthi P.
Published: August 2021

Substantial utilization of natural aggregates leads to the depletion of the naturally available resources. Hence an alternative approach is to utilize the recycled concrete aggregate (RCA) from the construction and demolition waste in the production of concrete and also in the prevention of dumping this waste in cultivable landfill. On the other side, codal provisions available for the predication of deflection in reinforced concrete one-way slab using effective moment of inertia (leg) were not comparable with the experimental values. Hence in the present study, it is proposed to study the load and deflection characteristics of simply supported slabs by varying the percentage of RCA content as 0 %, 50 % and 100 % under two point loading. Further, the work is extended to compare the deflection values obtained from experimental studies to the computed deflection values based on the IS 456:2000, ACI 318:2008 and BS: 8110. From the results, it is inferred that the replacement of natural aggregate with RCA does not affect the deflection characteristic of RC slab. Moreover, the computed deflection based on IS: 800, ACI and BS codal provisions does not match with the experimental deflection.
Sustainability Studies on Concrete Partial Replacement of Sugarcane Granular Bagasse-ash in Cement
Authors: Gaddam Kalpana
Published: August 2021

In recent times, the research in every branch of science and technology is focusing on utilisation of waste materials from different sources such as agricultural, industrial etc., It is both economically beneficial as well as helps in creating a pollution free environment. Various agricultural waste such a sugar cane bagasse ash is also utilised in recent times as it has high amount of silica content. It is a waste product from sugar refinery industry. With the increase in production of sugar, the disposal of bagasse ash becomes difficult. Hence utilisation of bagasse ash as a replacement to cement was experimented by few researchers and found that certain paste properties could be increased by using bagasse ash at certain percentage replacements. In this research, the bagasse ash was replaced by weight of ordinary Portland cement in concrete. The replacement percentage varied from 0 to 15% with a 5% interval. The proportions of cement aggregate and water was finalised by following standard mix design procedure given in IS-10262. Both fresh and hardened concrete properties were tested in each mix. It was observed that the slump value was decreased with the increase in bagasse ash content, the hardened properties like flexural strength, compressive strength, have indicated no major difference in strength levels up to 10% replacement of bagasse ash. Similar trend was observed in the results of 7, 14 and 28 days. With further research, the bagasse ash replacement in concrete can be made more sustainable.