bluuebunny/crossref_metadata_2025_split huggingface dataset:
Water‐Soluble Organic Nanoparticles with Programable Intermolecular Charge Transfer for NIR‐II Photothermal Anti‐Bacterial Therapy
Authors: Tian Shuang , Bai Haotian , Li Shengliang , Xiao Yafang , Cui Xiao , Li Xiaozhen , Tan Jihua , Huang Zhongming , Shen Dong , Liu Weimin , Wang Pengfei , Tang Ben Zhong , Lee Chun‐Sing 
Published: March 2021

AbstractExtensive recent efforts have been put on the design of high‐performance organic near‐infrared (NIR) photothermal agents (PTAs), especially over NIR‐II bio‐window (1000–1350 nm). So far, the development is mainly limited by the rarity of molecules with good NIR‐II response. Here, we report organic nanoparticles of intermolecular charge‐transfer complexes (CTCs) with easily programmable optical absorption. By employing different common donor and acceptor molecules to form CTC nanoparticles (CT NPs), absorption peaks of CT NPs can be controllably tuned from the NIR‐I to NIR‐II region. Notably, CT NPs formed with perylene and TCNQ have a considerably red‐shifted absorption peak at 1040 nm and achieves a good photothermal conversion efficiency of 42 % under 1064 nm excitation. These nanoparticles were used for antibacterial application with effective activity towards both Gram‐negative and Gram‐positive bacteria. This work opens a new avenue into the development of efficient PTAs.
“Host in Host” Supramolecular Core–Shell Type Systems Based on Giant Ring‐Shaped Polyoxometalates
Authors: Falaise Clément , Khlifi Soumaya , Bauduin Pierre , Schmid Philipp , Shepard William , Ivanov Anton A. , Sokolov Maxim N. , Shestopalov Michael A. , Abramov Pavel A. , Cordier Stéphane , Marrot Jérôme , Haouas Mohamed , Cadot Emmanuel 
Published: March 2021

AbstractHerein, we show how the chaotropic effect arising from reduced molybdate ions in acidified aqueous solution is able to amplify drastically weak supramolecular interactions. Time‐resolved Small Angle X‐ray Scattering (SAXS) analysis suggests that molybdenum‐blue oligomeric species form huge aggregates in the presence of γ‐cyclodextrin (γ‐CD) which results in the fast formation of nanoscopic {Mo154}‐based host‐guest species, while X‐ray diffraction analysis reveals that the ending‐point of the scenario results in an unprecedented three‐component well‐ordered core–shell‐like motif. A similar arrangement was found by using preformed hexarhenium chalcogenide‐type cluster [Re6Te8(CN)6]4− as exogenous guest. This seminal work brings better understanding of the self‐assembly processes in general and gives new opportunities for practical applications in the design of complex multicomponent materials via the simplicity of the non‐covalent chemistry.
Unravelling the Fast Alkali‐Ion Dynamics in Paramagnetic Battery Materials Combined with NMR and Deep‐Potential Molecular Dynamics Simulation
Authors: Lin Min , Liu Xiangsi , Xiang Yuxuan , Wang Feng , Liu Yunpei , Fu Riqiang , Cheng Jun , Yang Yong 
Published: March 2021

AbstractSolid‐state nuclear magnetic resonance (ssNMR) has received extensive attention in characterizing alkali‐ion battery materials because it is highly sensitive for probing the local environment and dynamic information of atoms/ions. However, precise spectral assignment cannot be carried out by conventional DFT for high‐rate battery materials at room temperature. Herein, combining DFT calculation of paramagnetic shift and deep potential molecular dynamics (DPMD) simulation to achieve the converged Na+ distribution at hundreds of nanoseconds, we obtain the statistically averaged paramagnetic shift, which is in excellent agreement with ssNMR measurements. Two 23Na shifts induced by different stacking sequences of transition metal layers are revealed in the fast chemically exchanged NMR spectra of P2‐type Na2/3(Mg1/3Mn2/3)O2 for the first time. This DPMD simulation auxiliary protocol can be beneficial to a wide range of ssNMR analysis in fast chemically exchanged material systems.
Novel Lamellar Tetrapotassium Pyromellitic Organic for Robust High‐Capacity Potassium Storage
Authors: Pan Qingguang , Zheng Yongping , Tong Zhaopeng , Shi Lei , Tang Yongbing 
Published: March 2021

AbstractRedox‐active organics are investigation hotspots for metal ion storage due to their structural diversity and redox reversibility. However, they are plagued by limited storage capacity, sluggish ion diffusion kinetics, and weak structural stability, especially for K+ ion storage. Herein, we firstly reported the lamellar tetrapotassium pyromellitic (K4PM) with four active sites and large interlayer distance for K+ ion storage based on a design strategy, where organics are constructed with the small molecular mass, multiple active sites, fast ion diffusion channels, and rigid conjugated π bonds. The K4PM electrode delivers a high capacity up to 292 mAh g−1 at 50 mA g−1, among the best reported organics for K+ ion storage. Especially, it achieves an excellent rate capacity and long‐term cycling stability with a capacity retention of ≈83 % after 1000 cycles. Incorporating in situ and ex‐situ techniques, the K+ ion storage mechanism is revealed, where conjugated carboxyls are reversibly rearranged into enolates to stably store K+ ions. This work sheds light on the rational design and optimization of organic electrodes for efficient metal ion storage.
Tough and self‐healing hydrophobic association hydrogels with cationic surfactant
Authors: Zhao Zhen , Bai Yingrui , Sun Jinsheng , Lv Kaihe , Lei Shaofei , Qiu Jiaxian 
Published: March 2021

AbstractHydrophobic association (HA) hydrogels with outstanding mechanical, rheological and recovery properties were successfully synthesized by micellar copolymerization of acrylamide with lauryl methacrylate. The synthesis occurred at room temperature and the synthesis condition was moderate by using the redox initiator system of Ammonium persulfate ‐ sodium bisulfite as initiators. Cationic surfactant (dodecyl trimethyl ammonium bromide) was utilized to form micelles with hydrophobe, served as physical cross‐linking points in the 3D networks of hydrogels. The HA hydrogels showed a high tensile strength of 181 kPa, superior stretchability of 2300% and excellent toughness of 2.16 MJ m−3. Moreover, they owned extraordinary self‐recovery under different conditions. It is hopeful that the hydrogels with superior mechanical strength and self‐healing properties would be applied to the fields of biomedicine and engineering. Meanwhile, based on above materials, HA hydrogels could also be synthesized with the combination of hydrophobic association and other synergistic effects, such as latex particles, electrostatic effect and nanoparticles.
Applications of Carbon Dots (CDs) in Latent Fingerprints Imaging
Authors: Shabashini Arivalagan , Panja Sumit Kumar , Nandi Ganesh Chandra 
Published: March 2021

AbstractCarbon dots (CDs), a new member of the carbon‐based material family, possess unique properties, such as high fluorescence, non‐toxicity, eco‐friendliness, stability and cost‐effectiveness. These properties helped CDs to receive tremendous attention in various fields, namely, biological, opto‐electronic, bio‐imaging and energy‐related applications. Although CDs are widely explored in bio‐imaging and bio‐sensing applications, their effectiveness in forensic science and technology is comparatively new. In this review, applications of CDs pertaining to latent FPs recovery since 2015 to 2020 is summarized comprehensively.
Socrative, a powerful digital tool for enriching the teaching–learning process and promoting interactive learning in Chemistry and Chemical Engineering studies
Authors: Roman Claudia , Delgado Miguel A. , García‐Morales Moisés 
Published: March 2021

AbstractMobile learning is an emerging educational methodology that requires an updated conceptualization to yield effective pedagogical approaches that may enrich the teaching–learning processes. The present research aimed to better understand and to assess the effectiveness of mobile learning in Science and Engineering Higher Education settings. The experience was carried out over two consecutive academic years, 2018–2019 and 2019–2020, in a Polymer Technology course taught in Chemistry and Chemical Engineering Bachelor programs. The “Socrative” online mobile platform enabled to conduct formative assessment through the use of multiple choice quizzes that were meticulously designed to facilitate understanding and to provide instant feedback. A three‐way analysis of variance hypothesis test allowed concluding that Socrative had a significant effect, at the 0.05 level, on improving the students’ average grade (about 1.5 points higher, on a scale of 0–10) in practical lab sessions as compared with a control group that did not participate in this type of methodology. Moreover, the results from an opinion survey revealed that Socrative enabled to achieve a meaningful learning of the fundamentals, made the everyday classrooms more engaging and fun, increased motivation, and, in general, helped create a more pleasant learning environment. The use of Socrative as an effective instrument that allowed minimizing learning disruptions as a consequence of the recent COVID‐19 outbreak is also reported.
Evaluation of the modified immune prognostic index to prognosticate outcomes in metastatic uveal melanoma patients treated with immune checkpoint inhibitors
Authors: Sander Michael S. , Stukalin Igor , Vallerand Isabelle A. , Goutam Siddhartha , Ewanchuk Benjamin W. , Meyers Daniel E. , Pabani Aliyah , Morris Don G. , Heng Daniel Y. C. , Cheng Tina 
Published: March 2021

AbstractBackgroundMetastatic uveal melanoma (MUM) is associated with poor survival and inferior response to immune checkpoint inhibitor (ICI) therapy when compared with metastatic cutaneous melanoma. Currently, prognostic biomarkers are lacking to guide treatment decisions.Patients and MethodsWe conducted a multicenter, retrospective cohort study using a centralized, province‐wide cancer database in Alberta, Canada. We identified 37 patients with histologically confirmed MUM who received at least one dose of single‐agent pembrolizumab or nivolumab, or combination therapy nivolumab and ipilimumab. A modified immune prognostic index (IPI), based on the previously reported lung immune prognostic index, was used to stratify patients into favorable and poor IPI groups. Survival analyses were conducted using the Kaplan–Meier method and Cox proportional hazards models, adjusting for baseline age (≥60) and ECOG performance status, to assess the associations between IPI and overall survival (OS). Time to treatment failure (TTF) was also assessed using the Kaplan–Meier method. The association between IPI and objective response rate was examined using chi‐squared tests. Logistic regression was used to determine the association between IPI and immune‐related adverse events (irAEs).ResultsMedian OS was 15.6 (range 0.6–57.6) months with 45.9% 1‐year survival rate at a median follow‐up of 11.8 months. We found that a favorable IPI was significantly associated with OS [median 30.5 (12.0‐not reached) months in the favorable IPI group compared with 4.6 (2.1–16.0) months in the poor IPI group (p = 0.001)] (HR=4.81, 95% CI; 1.64–14.10, p = 0.004), TTF [median 5.1 (95% CI; 2.1–10.4) months in the favorable IPI group compared with 3.7 (95% CI; 1.4–6.4) months in the poor IPI group (p = 0.0191)], and irAE (HR=6.67, 95% CI; 1.32–33.69, p = 0.0220).ConclusionsThe modified IPI may be a useful tool in clinical practice for identifying MUM patients who are more likely to experience irAEs and realize a survival benefit from ICI treatment.
The effects of oxygen–ozone therapy on regulatory T‐cell responses in multiple sclerosis patients
Authors: Tahmasebi Safa , Qasim Maytham T. , Krivenkova Maria V. , Zekiy Angelina O. , Thangavelu Lakshmi , Aravindhan Surendar , Izadi Morteza , Jadidi‐Niaragh Farhad , Ghaebi Mahnaz , Aslani Saeed , Aghebat‐Maleki Leili , Ahmadi Majid , Roshangar Leila 
Published: March 2021

AbstractMultiple sclerosis (MS) is a common degenerative disorder of the central nervous system. The decreased frequency and dysfunction of Treg cells cause inflammation and disease progression. Ozone autohemotherapy can be used as a potential therapeutic approach to regulate the immune system responses and inflammation in MS. For this purpose, 20 relapsing‐remitting multiple sclerosis patients were under treatment with ozone twice weekly for 6 months. The frequency of Treg cell, the expression levels of the Treg cell‐related factors (FoxP3, IL‐10, TGF‐β, miR‐17, miR‐27, and miR‐146A), and the secretion levels of IL‐10 and TGF‐β were assessed. We found a significant increase in the number of Treg cells, expression levels of FoxP3, miRNAs (miR‐17 and miR‐27), IL‐10, and TGF‐β factors in patients after oxygen–ozone (O2‐O3) therapy compared to before treatment. In contrast, oxygen–ozone therapy notably decreased the expression level of miR‐146a in treated patients. Interestingly, the secretion levels of both IL‐10 and TGF‐β cytokines were considerably increased in both serum and supernatant of cultured peripheral blood mononuclear cells in posttreatment condition compared to pretreatment condition. According to results, oxygen–ozone therapy raised the frequency of Treg cell and its relevant factors in treated MS patients. Oxygen–ozone therapy would contribute to improving the MS patients by elevating the Treg cell responses.
Valproic acid protects intestinal organoids against radiation via NOTCH signaling
Authors: Park Misun , Kwon Junhye , Youk Heejeong , Shin Ui Sup , Han Young‐Hoon , Kim Younjoo 
Published: March 2021

AbstractRadiotherapy is a leading treatment for various types of cancer. However, exposure to high‐dose ionizing radiation causes acute gastrointestinal injury and gastrointestinal syndrome. This has significant implications for human health, and therefore, radioprotection is a major area of research. Radiation induces the loss of intestinal stem cells; hence, the protection of stem cells expressing LGR5 (a marker of intestinal epithelial stem cells) is a key strategy for the prevention of radiation‐induced injury. In this study, we identified valproic acid (VPA) as a potent radioprotector using an intestinal organoid culture system. VPA treatment increased the number of LGR5+ stem cells and organoid regeneration after irradiation. N‐[N‐(3,5‐difluorophenacetyl)‐l‐alanyl]‐S‐phenylglycine t‐butyl ester (DAPT, an inhibitor of NOTCH signaling) blocked the radioprotective effects of VPA, indicating that NOTCH signaling is a likely mechanism underlying the observed effects of VPA. In addition, VPA acted as a radiosensitizer via the inhibition of histone deacetylase (HDAC) in a colorectal cancer organoid. These results demonstrate that VPA exerts strong protective effects on LGR5+ stem cells via NOTCH signaling and that the inhibition of NOTCH signaling reduces these protective effects, providing a basis for the improved management of radiation injury.
E3 ubiquitin ligase TRIM24 deficiency promotes NLRP3/caspase‐1/IL‐1β‐mediated pyroptosis in endometriosis
Authors: Hang Yuanyuan , Tan Li , Chen Qiong , Liu Qiaoli , Jin Yuli 
Published: March 2021

AbstractEndometriosis is an inflammation‐dependent disease that shares similarities with malignant tumors including attachment and infiltration. Tripartite motif‐containing 24 (TRIM24) has been illustrated in inflammatory responses and gynecological tumors, and Nod‐like receptor protein 3 (NLRP3) inflammasome has been implicated in endometriosis. However, the involvement of TRIM24 and the role of NLRP3/caspase‐1/interleukin‐1β (IL‐1β)‐mediated pyroptosis in endometriosis remain obscure. In this study, we originally detected the decreased expression of TRIM24 in the ectopic endometrium of endometriosis compared with the normal endometrium. Then we measured the promoted protein expression of pyroptotic biomarkers (NLRP3, procaspase‐1, caspase‐1, pro‐IL‐1β, and IL‐1β) using Western blot analysis and the stimulated secretion of IL‐1β and IL‐18 by enzyme‐linked immunosorbent assay in ectopic human endometrial stromal cells (hESC) compared with normal hESC. TRIM24‐small‐interfering RNA (siTRIM24) was used to silence TRIM24, whereas TRIM24‐pcDNA3.1 was used for overexpressing TRIM24. The migration of hESC was determined by a Transwell migration assay. Coimmunoprecipitation and ubiquitination analyses were conducted to explore the interaction between TRIM24 and NLRP3. Subsequently, we found that TRIM24 negatively regulated NLRP3/caspase‐1/IL‐1β‐mediated pyroptosis and cell migration of hESC, and CY‐09, the specific inhibitor of NLRP3, could reverse the promoted pyroptosis and cell migration induced by siTRIM24. Furthermore, TRIM24 interacted with NLRP3 and the upregulation of TRIM24 facilitated the ubiquitination of NLRP3 in ectopic hESC. Our findings suggest that TRIM24 may participate in the progression of endometriosis through the NLRP3/caspase‐1/IL‐1β‐mediated pyroptotic pathway via ubiquitination of NLRP3, which reveals the significant molecular mechanism underlying endometriosis.
Synthesis of Triphenylethylene‐Naphthalimide Conjugates as topoisomerase‐IIα inhibitor and HSA binder
Authors: Rani Sudesh , Luxami Vijay , Paul Kamaldeep 
Published: March 2021

AbstractA series of triphenylethylene‐naphthalimide (TPE‐naph) conjugates was synthesized by a molecular hybridization technique, and their anticancer activity was evaluated in vitro on 60 human cancer cell lines through their cytotoxicity. The ratios of E and Z isomers were determined on the basis of HPLC methodology and NMR spectroscopy. The structure‐activity relationship for anticancer activity was deduced on the basis of the nature and bulkiness of the amine attached to the C‐4 position of the naphthalene ring. Experimental and molecular modeling studies of the most active TPE‐naph conjugate bearing a morpholinyl group showed that it was able to inhibit topoisomerase‐II (TOPO‐II) as a possible intracellular target. Moreover, the transportation behavior of TPE‐naph conjugate towards human serum albumin (HSA) indicated efficient binding affinity. The steady‐state and time‐dependent fluorescent results suggested that this conjugate quenched HSA significantly through static as well as dynamic quenching. Thus, this report discloses the scope of triphenylethylene‐naphthalimide (TPE‐naph) conjugates as efficient anticancer agents.
Optimized load balancing in high‐performance computing for big data analytics
Authors: Mirtaheri Seyedeh Leili , Grandinetti Lucio 
Published: March 2021

SummaryNew generation application problems in big data and high‐performance computing (HPC) areas claim very diverse operational properties. The convergence requires the dynamic behavior of system components. Load balancing is a critical issue in response to the highly unpredictable, dynamic, and data‐oriented behavior of the system. Possible practical constraints such as communication and load transfer delays play an essential role in designing a dynamic load balancer. On the other hand, according to most of the new platforms' distributed nature, the load balancer should be able to perform in a fully distributed manner. In this research, we consider practical issues, including different processing power, storage capability, communication, load transfer delays, and propose two distributed and optimized load balancing methods in HPC for Big Data processing. We model the constraints and present an argument named compensating factor for the optimized load balancer. We try to minimize the task execution time by reducing the nodes' idle time. We evaluate the proposed methods in different scenarios by using Monte Carlo. Evaluations results show that proposed methods decrease idle time significantly while being scalable to network size and applicable in heterogeneous networks with dynamic resources and configuration.
A graphical processing unit‐based parallel hybrid genetic algorithm for resource‐constrained multi‐project scheduling problem
Authors: Uysal Furkan , Sonmez Rifat , Isleyen Selcuk Kursat 
Published: March 2021

SummaryIn this article, we present a parallel graphical processing unit (GPU)‐based genetic algorithm (GA) for solving the resource‐constrained multi‐project scheduling problem (RCMPSP). We assumed that activity pre‐emption is not allowed. Problem is modeled in a portfolio of projects where precedence and resource constraints affect the portfolio duration. We also assume that the durations, availability of resources are deterministic and portfolio has a static nature. The objective in this article is to find a start time for each activity of the project so that the portfolio duration is minimized, while satisfying precedence relations and resource availabilities within a reasonable amount of time for small and large problem instances. In order to compare the efficiency of the proposed parallel GPU‐based GA, problem is solved together with a CPU and a GPU. The results showed that GPU‐based parallel GA has high potential for improving the performance of GAs for the RCMPSP particularly, for large‐scale problems.
Analysis and design of a low jitter delay‐locked loop using lock state detector
Authors: Modanlou Shahram , Ardeshir Gholamreza , Gholami Mohammad 
Published: March 2021

SummaryIn this paper, a technique is proposed to improve the jitter performance of a delay‐locked loop (DLL). The DLL is structured by charge pump (CP), phase detector (PD), voltage control delay line (VCDL) and the reference clock. The jitter generated by each part of DLL is separately studied, and a closed‐form equation is extracted. This closed‐form equation shows that the jitter generated by CP, PD and the secondary jitter of the reference clock and VCDL is applied to output by the control voltage. A jitter improving circuit is used to cancel the jitter of the control voltage. To verify the closed‐form equation, the DLL is designed in 0.18 μm CMOS technology with the proposed technique to improve the output jitter. The simulated root‐mean‐square and peak‐to‐peak jitters are 2.12 and 4.37 ps at 250 MHz, respectively. The power dissipation at 250 MHz is 2.78 mW for a supply voltage of 1.2 V.
Human Infection Challenge Experiments: Then and Now
Authors: Miller Franklin G. , Moreno Jonathan D. 
Published: March 2021

ABSTRACTIn the midst of the Covid‐19 pandemic, ethicists, researchers, and journalists have recommended studies that deliberately infect healthy volunteers with the coronavirus as a scientific means of expediting vaccine development. In this essay, we trace the history of infection challenge experiments and reflect on the Nuremberg Code of 1947, issued in response to brutal human experiments conducted by Nazi investigators in concentration camps. We argue that the Code continues to offer valuable guidance for assessing the ethics of this controversial form of research, with respect particularly to the acceptable limits to research risks and the social value of research necessary to justify exposing human participants to these risks.