scholarly journals Recent advances in the computational chemistry of soft porous crystals

2017 ◽  
Vol 53 (53) ◽  
pp. 7211-7221 ◽  
Author(s):  
Guillaume Fraux ◽  
François-Xavier Coudert

We highlight recent progress in the field of computational chemistry of nanoporous materials, focusing on methods and studies that address the extraordinary dynamic nature of these systems: the high flexibility of their frameworks, the large-scale structural changes upon external physical or chemical stimulation, and the presence of defects and disorder.

2019 ◽  
Vol 19 (1) ◽  
pp. 4-16 ◽  
Author(s):  
Qihui Wu ◽  
Hanzhong Ke ◽  
Dongli Li ◽  
Qi Wang ◽  
Jiansong Fang ◽  
...  

Over the past decades, peptide as a therapeutic candidate has received increasing attention in drug discovery, especially for antimicrobial peptides (AMPs), anticancer peptides (ACPs) and antiinflammatory peptides (AIPs). It is considered that the peptides can regulate various complex diseases which are previously untouchable. In recent years, the critical problem of antimicrobial resistance drives the pharmaceutical industry to look for new therapeutic agents. Compared to organic small drugs, peptide- based therapy exhibits high specificity and minimal toxicity. Thus, peptides are widely recruited in the design and discovery of new potent drugs. Currently, large-scale screening of peptide activity with traditional approaches is costly, time-consuming and labor-intensive. Hence, in silico methods, mainly machine learning approaches, for their accuracy and effectiveness, have been introduced to predict the peptide activity. In this review, we document the recent progress in machine learning-based prediction of peptides which will be of great benefit to the discovery of potential active AMPs, ACPs and AIPs.


Author(s):  
Ting Liu ◽  
Zhe Cui ◽  
Hongquan Pu ◽  
Jintao Rao

The article for the journal Recent Advances in Electrical and Electronic Engineering has been withdrawn on the request of the authors due to some technical errors in the article. Bentham Science apologizes to the readers of the journal for any inconvenience this may cause. BENTHAM SCIENCE DISCLAIMER: It is a condition of publication that manuscripts submitted to this journal have not been published and will not be simultaneously submitted or published elsewhere. Furthermore, any data, illustration, structure or table that has been published elsewhere must be reported, and copyright permission for reproduction must be obtained. Plagiarism is strictly forbidden, and by submitting the article for publication the authors agree that the publishers have the legal right to take appropriate action against the authors, if plagiarism or fabricated information is discovered. By submitting a manuscript the authors agree that the copyright of their article is transferred to the publishers if and when the article is accepted for publication.


Author(s):  
Zhaoming Kang ◽  
Muhammad Arif Khan ◽  
Yanmei Gong ◽  
Rida Javed ◽  
Yuan Xu ◽  
...  

In this review, recent advances in MXenes and MXene-based nanomaterials applied in HER electrocatalysis are overviewed in terms of their synthesis, characterization, functional mechanisms, and HERperformance/optimization.


Nanophotonics ◽  
2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Wei Shi ◽  
Ye Tian ◽  
Antoine Gervais

AbstractThe tremendous growth of data traffic has spurred a rapid evolution of optical communications for a higher data transmission capacity. Next-generation fiber-optic communication systems will require dramatically increased complexity that cannot be obtained using discrete components. In this context, silicon photonics is quickly maturing. Capable of manipulating electrons and photons on the same platform, this disruptive technology promises to cram more complexity on a single chip, leading to orders-of-magnitude reduction of integrated photonic systems in size, energy, and cost. This paper provides a system perspective and reviews recent progress in silicon photonics probing all dimensions of light to scale the capacity of fiber-optic networks toward terabits-per-second per optical interface and petabits-per-second per transmission link. Firstly, we overview fundamentals and the evolving trends of silicon photonic fabrication process. Then, we focus on recent progress in silicon coherent optical transceivers. Further scaling the system capacity requires multiplexing techniques in all the dimensions of light: wavelength, polarization, and space, for which we have seen impressive demonstrations of on-chip functionalities such as polarization diversity circuits and wavelength- and space-division multiplexers. Despite these advances, large-scale silicon photonic integrated circuits incorporating a variety of active and passive functionalities still face considerable challenges, many of which will eventually be addressed as the technology continues evolving with the entire ecosystem at a fast pace.


2021 ◽  
Vol 7 (1) ◽  
Author(s):  
Tao Yue ◽  
Da Zhao ◽  
Duc T. T. Phan ◽  
Xiaolin Wang ◽  
Joshua Jonghyun Park ◽  
...  

AbstractThe vascular network of the circulatory system plays a vital role in maintaining homeostasis in the human body. In this paper, a novel modular microfluidic system with a vertical two-layered configuration is developed to generate large-scale perfused microvascular networks in vitro. The two-layer polydimethylsiloxane (PDMS) configuration allows the tissue chambers and medium channels not only to be designed and fabricated independently but also to be aligned and bonded accordingly. This method can produce a modular microfluidic system that has high flexibility and scalability to design an integrated platform with multiple perfused vascularized tissues with high densities. The medium channel was designed with a rhombic shape and fabricated to be semiclosed to form a capillary burst valve in the vertical direction, serving as the interface between the medium channels and tissue chambers. Angiogenesis and anastomosis at the vertical interface were successfully achieved by using different combinations of tissue chambers and medium channels. Various large-scale microvascular networks were generated and quantified in terms of vessel length and density. Minimal leakage of the perfused 70-kDa FITC-dextran confirmed the lumenization of the microvascular networks and the formation of tight vertical interconnections between the microvascular networks and medium channels in different structural layers. This platform enables the culturing of interconnected, large-scale perfused vascularized tissue networks with high density and scalability for a wide range of multiorgan-on-a-chip applications, including basic biological studies and drug screening.


2021 ◽  
pp. 097226292199098
Author(s):  
Vaibhav Aggarwal ◽  
Adesh Doifode ◽  
Mrityunjay Kumar Tiwary

This study examines the relationship that both domestic and foreign institutional net equity flows have with the India stock markets. The motivation behind is the study to examine whether increased net equity investments from domestic institutional investors has reduced the influence of foreign equity flows on the Indian stock market volatility. Our results indicate that only during periods in which domestic equity inflows surpass foreign flows by a significant margin, as seen during 2015–2018, is the Indian stock market volatility not significantly influenced by foreign equity investments. However, during periods of re-emergence of strong foreign net inflows, the Indian market volatility is still being impacted significantly, as has been observed since 2019. Furthermore, we find that both large-scale net buying and net selling by domestic funds increased the stock market volatility as observed during 2015–2018 and COVID-impacted year 2020 respectively. The implications of this study are multi-fold. First, the regulators should discuss with industry bodies before enforcing major structural changes like reconstituting of mutual fund investment mandate in 2017 which forced domestic funds to quickly change portfolio allocation amongst large-cap, mid-cap and small-cap stocks resulting in higher stock market volatility. Second, adequate investor educational and awareness programmes need to be conducted regularly for retail investors to minimize herd behaviour of investing during market rise and heavy redemptions at times of fall. Third, the economic policies should be stable and forward-looking to ensure foreign investors remain attracted to the Indian stock markets at all times.


2021 ◽  
pp. 1-11
Author(s):  
Adam S. Bernstein ◽  
Steven Z. Rapcsak ◽  
Michael Hornberger ◽  
Manojkumar Saranathan ◽  

Background: Increasing evidence suggests that thalamic nuclei may atrophy in Alzheimer’s disease (AD). We hypothesized that there will be significant atrophy of limbic thalamic nuclei associated with declining memory and cognition across the AD continuum. Objective: The objective of this work was to characterize volume differences in thalamic nuclei in subjects with early and late mild cognitive impairment (MCI) as well as AD when compared to healthy control (HC) subjects using a novel MRI-based thalamic segmentation technique (THOMAS). Methods: MPRAGE data from the ADNI database were used in this study (n = 540). Healthy control (n = 125), early MCI (n = 212), late MCI (n = 114), and AD subjects (n = 89) were selected, and their MRI data were parcellated to determine the volumes of 11 thalamic nuclei for each subject. Volumes across the different clinical subgroups were compared using ANCOVA. Results: There were significant differences in thalamic nuclei volumes between HC, late MCI, and AD subjects. The anteroventral, mediodorsal, pulvinar, medial geniculate, and centromedian nuclei were significantly smaller in subjects with late MCI and AD when compared to HC subjects. Furthermore, the mediodorsal, pulvinar, and medial geniculate nuclei were significantly smaller in early MCI when compared to HC subjects. Conclusion: This work highlights nucleus specific atrophy within the thalamus in subjects with early and late MCI and AD. This is consistent with the hypothesis that memory and cognitive changes in AD are mediated by damage to a large-scale integrated neural network that extends beyond the medial temporal lobes.


2021 ◽  
Vol 8 (1) ◽  
Author(s):  
Mehdi Srifi ◽  
Ahmed Oussous ◽  
Ayoub Ait Lahcen ◽  
Salma Mouline

AbstractVarious recommender systems (RSs) have been developed over recent years, and many of them have concentrated on English content. Thus, the majority of RSs from the literature were compared on English content. However, the research investigations about RSs when using contents in other languages such as Arabic are minimal. The researchers still neglect the field of Arabic RSs. Therefore, we aim through this study to fill this research gap by leveraging the benefit of recent advances in the English RSs field. Our main goal is to investigate recent RSs in an Arabic context. For that, we firstly selected five state-of-the-art RSs devoted originally to English content, and then we empirically evaluated their performance on Arabic content. As a result of this work, we first build four publicly available large-scale Arabic datasets for recommendation purposes. Second, various text preprocessing techniques have been provided for preparing the constructed datasets. Third, our investigation derived well-argued conclusions about the usage of modern RSs in the Arabic context. The experimental results proved that these systems ensure high performance when applied to Arabic content.


EcoMat ◽  
2021 ◽  
Author(s):  
Chan Ul Kim ◽  
Eui Dae Jung ◽  
Young Wook Noh ◽  
Seong Kuk Seo ◽  
Yunseong Choi ◽  
...  

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