Impact of molecular linker size on physicochemical properties of assembled gold nanoparticle mono-/multi-layers and their applicability for functional binding of biomolecules by Krikstolaityte, Vida, Hamit-Eminovski, Jildiz, Abariute, Laura, Niaura, Gediminas, Meskys, Rolandas, Arnebrant, Thomas, Lisak, Grzegorz, Ruzgas, Tautgirdas

“…Both AuNP mono- and multilayers, attached/interlinked via long flexible PLL molecules assembled to denser and more soft/viscous structures compared to those interlinked by short MHP compounds. …”
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Fully quantum modeling of exciton diffusion in mesoscale light harvesting systems by Zheng, Fulu, Chen, Lipeng, Gao, Jianbo, Zhao, Yang

“…Tested with toy models, which are nanoarrays of the B850 pigments from the light harvesting 2 complexes of purple bacteria, the methodology is adopted to describe exciton diffusion in huge systems containing more than 1600 molecules. The superradiance enhancement factor extracted from the simulations indicates an exciton delocalization over two to three pigments, in agreement with measurements of fluorescence quantum yield and lifetime in B850 systems. …”
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Probing the influence of tether density on tethered bilayer lipid membrane (tBLM)-peptide interactions by Park, Soohyun, Yorulmaz, Saziye Avsar, Cornell, B., Ferhan, Abdul Rahim, Jeon, W. Y., Chung, M., Cho, Nam-Joon

“…To achieve both physical stability and nanoscale separation from the support substrate, the tBLMs were fabricated on self-assembled monolayers (SAMs) obtained using a mixture of tether and spacer molecules with controlled tether-to-spacer ratio from 1:99 (T1) to 100:0 (T100). …”
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MYC overexpression leads to increased chromatin interactions at superenhancers and MYC binding sites by See, Yi Xiang, Chen, Kaijing, Fullwood, Melissa Jane

“…Immunofluorescence staining showed that MYC molecules formed punctate foci at these transcriptionally active domains after MYC overexpression. …”
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Lewis pair polymerization of alkyl methacrylate by amidinato silicon compounds and Tris(pentafluorophenyl)borane by Chia, Cher-Chiek, Li, Yan, Xiao, Longqiang, Yang, Ming-Chung, Su, Ming-Der, So, Cheuk-Wai

“…The latter could activate MMA molecules affording poly(MMA) chains on the silicon centers. …”
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Supersaturated “water-in-salt” hybrid electrolyte towards building high voltage Na-ion capacitors with wide temperatures operation by Sennu, Palanichamy, Chua, Rodney, Dintakurti, Sai S. H., Hanna, John V., Ramabhadran, Raghunath O., Aravindan, Vanchiappan, Madhavi, Srinivasan

“…In this line, we report that acetate ions could help to neutralize the pH of sodium(I)bis(fluorosulfonyl)imide-based WIS electrolyte by diluting the free water molecules without any precipitation or recrystallization, and allow to widen the operating potential window from ~2.7 to 3.1 V. …”
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Amphiphilic Janus magnetoplasmonic nanoparticles: pH-triggered self-assembly and fluorescence modulation by Lu, Derong, Hou, Shuai, Liu, Sheng, Xiong, Qirong, Chen, Yonghao, Duan, Hongwei

“…Furthermore, the coating of well-defined BCP grafts on the gold nanoparticle (AuNP) of the JNPs offers the possibilities to finely tune the interparticle distance and precisely position dye molecules at the gap between neighboring JNPs in the ensembles, and the pH-sensitivity of the BCP allows to control the interparticle distance as a function of pH. …”
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NMR structure and localization of the host defense peptide thanatinM21F in zwitterionic dodecylphosphocholine micelle: implications in antimicrobial and hemolytic activity by Sinha, Sheetal, Bhattacharjya, Surajit

“…Non-hemolytic antimicrobial peptides (AMPs) are vital lead molecules for the designing and development of peptide-based antibiotics. …”
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Molecular locking with all-organic surface modifiers enables stable and efficient slot-die-coated methyl-ammonium-free perovskite solar modules by Rana, Prem Jyoti Singh, Febriansyah, Benny, Koh, Teck Ming, Kanwat, Anil, Xia, Junmin, Salim, Teddy, Hooper, Thomas J. N., Kovalev, Mikhail, Giovanni, David, Aw, Yeow Chong, Chaudhary, Bhumika, Cai, Yongqing, Xing, Guichuan, Sum, Tze Chien, Ager, Joel W., Mhaisalkar, Subodh Gautam, Nripan, Mathews

“…Herein, the utilization of a hydrophobic all-organic salt is reported to modify the top surface of large-area slot-die-coated methylammonium (MA)-free halide perovskite layers. Bearing two molecules, each of which is endowed with anchoring groups capable of exhibiting secondary interactions with the perovskite surfaces, the organic salt acts as a molecular lock by effectively binding to both anion and cation vacancies, substantially enhancing the materials’ intrinsic stability against different stimuli. …”
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Emerging intrinsic therapeutic targets for metastatic breast cancer by Li, Jiawei, Goh, Eyleen Lay Keow, He, Ji, Li, Yan, Fan, Zhimin, Yu, Zhigang, Yuan, Peng, Liu, Dong-Xu

“…Drugs that target these molecules/pathways are either already FDA-approved or currently being tested in clinical trials.…”
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Self-polarized CNT/PVDF nanocomposites with ultra-high β phase achieved via water induction for efficient piezo-catalysis by Zhang, Yingying, Chong, Carice, Tong, Wangshu, Li, Haitao, Lee, Hiang Kwee, Han, Jie

“…Notably, our self-polarized CNT/PVDF (SCP) ensemble exhibits a high β phase content of ∼95%, which is up to 6-fold higher than the original PVDF powder, and superior electrical activity by exploiting the polarity induction effect of water molecules. As a proof-of-concept demonstration, the SCP realizes efficient degradation of organic-polluted water by at least 95% within 2 h of ultrasonication (240 W), even at high pollutant concentration (40 mgL−1). …”
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Engineering single-atom electrocatalysts for enhancing kinetics of acidic Volmer reaction by Cao, Hao, Wang, Qilun, Zhang, Zisheng, Yan, Hui-Min, Zhao, Hongyan, Yang, Hongbin, Liu, Bin, Li, Jun, Wang, Yang-Gang

“…Herein, by performing ab initio molecular dynamics simulations and free energy calculations on a series of SAEs systems (TM/N4C with TM = 3d, 4d, or 5d metals), we find that the strong charge-dipole interaction between the negatively charged *H intermediate and the interfacial H2O molecules could alter the transition path of the acidic Volmer reaction and dramatically raise its kinetic barrier, despite its favorable adsorption free energy. …”
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The effect of inhibition of receptor tyrosine kinase AXL on DNA damage response in ovarian cancer by Yeo, Xun Hui, Sundararajan, Vignesh, Wu, Zhengwei, Phua, Cheryl Zi Jin, Ho, Yin Ying, Peh, Esther Kai Lay, Chiu, Yi-Chia, Tan, Tuan Zea, Kappei, Dennis, Ho, Ying Swan, Tan, David Shao Peng, Tam, Wai Leong, Huang, Ruby Yun-Ju

“…AXL inhibition using R428 resulted in the increase of DNA damage with the concurrent upregulation of DNA damage response signalling molecules. Furthermore, AXL inhibition rendered cells more sensitive to the inhibition of ATR, a crucial mediator for replication stress. …”
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Bismuth-rich Bi₁₂O₁₇Cl₂ nanorods engineered with oxygen vacancy defects for enhanced photocatalytic nitrogen fixation by Kok, Steven Hao Wan, Lee, Jiale, Chong, Wei-Kean, Ng, Boon-Junn, Kong, Xin Ying, Ong, Wee-Jun, Chai, Siang-Piao, Tan, Lling-Lling

“…The defects generated also provided an abundance of active sites to ease N2 adsorption and overcome the energy barrier for the activation of N2 molecules. The defect-rich BOC-OV sample exhibited a notable NH3 generation rate of 23.43 µmol gcat-1 h-1 in pure water under solar irradiation. …”
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Absolute scattering length density profile of liposome bilayers obtained by SAXS combined with GIXOS: a tool to determine model biomembrane structure by Harvey, Richard D., Bello, Gianluca, Kikhney, Alexey G., Torres. Jaume, Surya, Wahyu, Wölk, Christian, Shen, Chen

“…Hence, there is a crucial need of methods to understand the effects of membrane host molecules on the lipid bilayer structure. Here, a purely experimental method is presented for obtaining the absolute scattering length density profile and the area per lipid of liposomal bilayers, by aiding the analysis of small-angle X-ray scattering (SAXS) data with the volume of bare headgroups obtained from grazing-incidence X-ray off-specular scattering (GIXOS) data of monolayers of the same model membrane lipid composition. …”
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Construction of Fe nanoclusters/nanoparticles to engineer FeN4 sites on multichannel porous carbon fibers for boosting oxygen reduction reaction by Wang, Zhe, Lu, Zhe, Ye, Qitong, Yang, Zhenbei, Xu, Ruojie, Kong, Kexin, Zhang, Yifan, Yan, Tao, Liu, Yipu, Pan, Zhijuan, Huang, Yizhong, Lu, Xuehong

“…Theoretical calculation reveals that the Fe nanoclusters can trigger remarkable electron redistribution of the FeN4 sites and modulate the hybridization of central Fe 3d and O 2p orbitals, facilitating the activation of O2 molecules and optimizing the adsorption capacity of oxygen-containing intermediates on FeN4 sites, and thus accelerating the ORR kinetic. …”
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Peptide-based allosteric inhibitor targets TNFR1 conformationally active region and disables receptor-ligand signaling complex by Zeng, Jialiu, Loi, Gavin Wen Zhao, Saipuljumria, Eka Norfaishanty, Duránc, Marco Antonio Romero, Silva-García, Octavio, Perez-Aguilard, Jose Manuel, Baizabal-Aguirre, Víctor M., Lo, Chih Hung

“…This results in an inhibitory conformational state that impedes the recruitment of downstream signaling molecules. Together, these data provide evidence on the feasibility of targeting TNFR1 conformationally active region and open new avenues for receptor-specific inhibition of TNFR1 signaling.…”
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Charge-traps, thermal stability and water-uptakes of CaSiO3/EP and SiO2/EP nanocomposites from molecular simulations and first-principles calculations by Zhang, Yanyan, Sun, Weifeng

“…Molecular-mixture models consisting of a nanofiller or several calcium ions and EP crosslinked macro-molecules were used to simulate local regions of nanofiller/matrix interface or ion-infiltrated matrix, calculating their density of electron-states by first-principles method to determine whether and how the nanofillers introduce charge traps into EP matrix. …”
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Water vapor condensation behavior on different wetting surfaces via molecular dynamics simulation by Wei, Lan, Wang, Pengyu, Chen, Xingyu, Chen, Zhong

“…The effect of water vapor content on condensation morphology, condensation beginning time, number of water molecules condensed over time, and accumulation rate are quantitatively examined. …”
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A Wurster-type covalent organic framework with internal electron transfer-enhanced catalytic capacity for tumor therapy by Liu, Yang, Zhao, Huan, Wang, Shihuai, Niu, Rui, Bi, Shuai, Han, Wang-Kang, Wang, Yinghui, Song, Shuyan, Zhang, Hongjie, Zhao, Yanli

“…More importantly, Co-TB COF-induced STING activation normalizes tumor vasculature and increases the expression of endothelial T cell adhesion molecules, which greatly enhance the infiltration and function of effector T cells. …”
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