Article
Biochemistry & Molecular Biology
Yu Zhang, Weizhou Wang
Summary: In this study, the bifurcated sigma-hole and sigma-hole stacking interactions between organosulfur molecules were investigated using a combined method of the Cambridge Structural Database search and quantum chemical calculation. It was found that the binding energy of the bifurcated sigma-hole stacking interaction is generally lower than the sum of the binding energies of two monofurcated sigma-hole stacking interactions. The electrostatic energy contribution increases significantly and the dispersion component decreases significantly for the bifurcated sigma-hole stacking interaction compared to the linear monofurcated sigma-hole stacking interaction. Another important finding is that the spin-component scaled zeroth-order symmetry-adapted perturbation theory performs well in studying the bifurcated sigma-hole stacking interactions. This work provides valuable information for the design and synthesis of novel organic optical and electronic materials.
Article
Chemistry, Multidisciplinary
Noushin Keshtkar, Oliver Loveday, Victor Polo, Jorge Echeverria
Summary: Depending on the atom they are bound to, methyl groups can act as both Lewis acids and bases, engaging in highly directional and stabilizing dimethyl interactions. Methyl groups bound to electronegative atoms participate in tetrel bonding as Lewis acids, while methyl groups bound to electropositive atoms can act as Lewis bases. This study analyzes the combination of these two behaviors to establish attractive methyl···methyl interactions.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Crystallography
Yu Zhang, Weizhou Wang
Summary: This study investigates the face-to-face sigma-hole...sigma-hole stacking interactions in crystal structures using quantum chemical calculations, showing that they exist with unique properties despite their weak strength. Unlike other dispersion-dominated interactions, the contribution of the induction energy to the attraction energy of this interaction is significant. The study also suggests that the encapsulation of complexes bound by these interactions can tune the electronic properties of the container.
Review
Biochemistry & Molecular Biology
Paola Peluso, Victor Mamane
Summary: This review provides a comprehensive overview of the current advancements in the use of sigma-hole interactions in stereoselective processes, including the formation of chiral supramolecular assemblies, separation of enantiomers, enantioselective complexation, and asymmetric catalysis.
Article
Chemistry, Physical
Kristian Kriz, Jan Rezac
Summary: The SH250x10 dataset extends the Non-Covalent Interactions Atlas database to complexes bound by sigma-hole interactions and is used for testing various DFT functionals and semiempirical quantum-mechanical methods.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Nanoscience & Nanotechnology
Hengyue Xu, Daqin Guan
Summary: In this study, the unique noncovalent terminal cr-hole phenomenon in 3d-metal-based nanorods was discovered and its impact on the properties of nanorods was investigated. The results showed that the terminal cr-hole enhances electronic transport and chemical adsorption capability of the nanorods, providing critical guidance for the rational design of nanomaterials.
ACS APPLIED MATERIALS & INTERFACES
(2022)
Review
Crystallography
Antonio Frontera, Antonio Bauza
Summary: Main group elements can act as both Lewis acids and bases in noncovalent interactions, presenting a dual character. These emerging NCIs involving sigma-hole interactions show different features when moving along the same group or row of the periodic table.
Article
Chemistry, Multidisciplinary
Michelle B. Mills, Harrison K. S. Young, Gabriele Wehrle, Willem R. Verduyn, Xibo Feng, Paul D. Boyle, Pierre Dechambenoit, Erin R. Johnson, Kathryn E. Preuss
Summary: The solid-state structure of the neutral thiazyl radical F(2)HbimDTDA is determined by a variety of intermolecular interactions, including pancake bonding and hydrogen bonding. Computational analysis suggests that F(2)HbimDTDA is unlikely to have a morphology similar to its related compound HbimDTDA, with s-hole interactions playing a key role in its packing arrangement.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Chemistry, Multidisciplinary
Mahmoud A. A. Ibrahim, Ebtisam M. Z. Telb
Summary: The study revealed unconventional R-+/-(center dot)-hole interactions in tetrel-containing complexes and explored the nature and characteristics of these interactions using various quantum mechanical calculations. The findings show that the stability of complexes is influenced by the Lewis basicity of the molecules, with Lewis bases forming more stable complexes with (-)sigma-hole and R--(center dot)-hole interactions, while Lewis acids preferentially interact with (+)sigma-hole and R-+(center dot)-hole interactions. Dispersion force plays a key role in stabilizing tetrel-containing complexes.
Article
Chemistry, Physical
Naotaka Kasuya, Junto Tsurumi, Toshihiro Okamoto, Shun Watanabe, Jun Takeya
Summary: By utilizing an ion gel on top of a solution-processed, single-crystalline organic semiconductor film, researchers have observed a two-dimensional hole gas with high carrier density. The findings demonstrate the potential for tailoring low-dimensional electronic states through molecularly engineered heterointerfaces.
Article
Chemistry, Multidisciplinary
Connor Jaymes Dionne, Muhammad Akif Rahman, Patrick E. Hopkins, Ashutosh Giri
Summary: The design of innovative porous crystals with high porosities and large surface areas has garnered a great deal of attention over the past few decades. This research reveals that interpenetrated porous crystals formed from two-dimensional frameworks exhibit remarkable thermal conductivities, contrary to conventional understanding. The lower atomic densities and higher porosities in these crystals are associated with higher thermal conductivities.
Article
Chemistry, Physical
Kolleboyina Jayaramulu, Bandhana Devi
Summary: Metal-organic frameworks (MOFs) are crystalline materials composed of metallic clusters and organic ligands. However, their poor conductivity, inaccessible pores, and limited stability hinder their applications. To overcome these challenges, MOFs can be integrated with two-dimensional materials to create H2DPMs with versatile properties, expanding the range of potential applications.
CHEMISTRY OF MATERIALS
(2023)
Article
Crystallography
Dmitriy F. Mertsalov, Rosa M. Gomila, Vladimir P. Zaytsev, Mikhail S. Grigoriev, Eugeniya Nikitina, Fedor Zubkov, Antonio Frontera
Summary: This paper reports the synthesis and X-ray characterization of two derivatives containing the four most abundant halogen atoms, aiming to study Ha···Ha halogen bonding interactions. The heavier halogen atoms exhibit anisotropy of electron density, leading to the formation of multiple Ha···Ha contacts in the solid state. The halogen bonding assemblies in both compounds were analyzed using various methods such as DFT calculations, MEP surfaces, QTAIM, NCIplot, and ELF.
Article
Chemistry, Multidisciplinary
Lingyun Zhang, Li Zhang, Rongbo Xie, Yibo Ni, Xiaoyu Wu, Yuanmu Yang, Fei Xing, Xiaoguang Zhao, Zheng You
Summary: Cascaded metasurfaces exhibit dynamic light manipulation by mechanically tuning far-field interactions. A design paradigm using a ray-tracing scheme is proposed to operate cascaded metasurfaces optimally at achievable gap sizes. A continuous 2D beam-steering device for 1064 nm light is designed as proof of concept, showing a tuning range of +/- 45 degrees within +/- 3.5 mm biaxial translations while maintaining low divergence. The generalized design paradigm can enable tunable cascaded metasurface devices for various applications.
Article
Biochemistry & Molecular Biology
Qiang Zhao
Summary: This study evaluated the non-covalent interactions between gold cluster and benzene using theoretical calculations. Strong sigma-hole and relatively weak sigma-lump interactions were found to exist between the two, with sigma-hole interactions dominated by electrostatic forces and sigma-lump interactions mainly driven by dispersion. The research can contribute to the understanding of interactions between Au cluster and pi-systems, as well as the design of new materials based on these interactions.
JOURNAL OF MOLECULAR MODELING
(2021)
Article
Chemistry, Physical
Yuxuan Lin, Mengxiao Diao, Jingxin Dai, Zhen Xu, Xinwei Zhao, Xiaojie Wen, Lingbo Xing, Xiong Zhou, Qiwei Chen, Jing Liu, Kai Wu
Summary: A molecular investigation reveals that Cu adatoms embedded in DCTP-Cu chains on Cu(111) surface are located at the hollow and bridge sites, leading to stepwise elimination of Cu adatoms in the chains. The interchain interaction plays an important role in the Cu-elimination process and promotes the cooperative Cu-elimination and C-C coupling of the OM segments in neighboring chains. These findings demonstrate the key role of molecule-substrate and intermolecular interactions in mediating the reaction processes of extended molecular systems on surfaces.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Hossein Montazerian, Elham Davoodi, Alireza Hassani Najafabadi, Reihaneh Haghniaz, Avijit Baidya, Nasim Annabi, Ali Khademhosseini, Paul S. Weiss
Summary: By oxidative oligomerization of catecholic compounds, gelatin can be functionalized with caffeic acid (CA) oligomers to enhance its bioadhesive properties. Ex vivo adhesion tests on pig lungs showed a 33-fold improvement in adhesion strength compared to gelatin methacryloyl controls, with increased toughness and stretchability. Functionalization with CA oligomers also allows for rapid gel formation at room temperature, adjustable viscosity for injectability, and enhanced antioxidant effects.
CELL REPORTS PHYSICAL SCIENCE
(2023)
Retraction
Chemistry, Multidisciplinary
Xiaobin Xu, Shuang Hou, Natcha Wattanatorn, Fang Wang, Qing Yang, Chuanzhen Zhao, Xiao Yu, Hsian-Rong Tseng, Steven J. Jonas, Paul S. Weiss
Review
Chemistry, Multidisciplinary
Yifei Luo, Mohammad Reza Abidian, Jong-Hyun Ahn, Deji Akinwande, Anne M. Andrews, Markus Antonietti, Zhenan Bao, Magnus Berggren, Christopher A. Berkey, Christopher John Bettinger, Jun Chen, Peng Chen, Wenlong Cheng, Xu Cheng, Seon-Jin Choi, Alex Chortos, Canan Dagdeviren, Reinhold H. Dauskardt, Chong-an Di, Michael D. Dickey, Xiangfeng Duan, Antonio Facchetti, Zhiyong Fan, Yin Fang, Jianyou Feng, Xue Feng, Huajian Gao, Wei Gao, Xiwen Gong, Chuan Fei Guo, Xiaojun Guo, Martin C. Hartel, Zihan He, John S. Ho, Youfan Hu, Qiyao Huang, Yu Huang, Fengwei Huo, Muhammad M. Hussain, Ali Javey, Unyong Jeong, Chen Jiang, Xingyu Jiang, Jiheong Kang, Daniil Karnaushenko, Ali Khademhosseini, Dae-Hyeong Kim, Il-Doo Kim, Dmitry Kireev, Lingxuan Kong, Chengkuo Lee, Nae-Eung Lee, Pooi See Lee, Tae-Woo Lee, Fengyu Li, Jinxing Li, Cuiyuan Liang, Chwee Teck Lim, Yuanjing Lin, Darren J. Lipomi, Jia Liu, Kai Liu, Nan Liu, Ren Liu, Yuxin Liu, Yuxuan Liu, Zhiyuan Liu, Zhuangjian Liu, Xian Jun Loh, Nanshu Lu, Zhisheng Lv, Shlomo Magdassi, George G. Malliaras, Naoji Matsuhisa, Arokia Nathan, Simiao Niu, Jieming Pan, Changhyun Pang, Qibing Pei, Huisheng Peng, Dianpeng Qi, Huaying Ren, John A. Rogers, Aaron Rowe, Oliver G. Schmidt, Tsuyoshi Sekitani, Dae-Gyo Seo, Guozhen Shen, Xing Sheng, Qiongfeng Shi, Takao Someya, Yanlin Song, Eleni Stavrinidou, Meng Su, Xuemei Sun, Kuniharu Takei, Xiao-Ming Tao, Benjamin C. K. Tee, Aaron Voon-Yew Thean, Tran Quang Trung, Changjin Wan, Huiliang Wang, Joseph Wang, Ming Wang, Sihong Wang, Ting Wang, Zhong Lin Wang, Paul S. Weiss, Hanqi Wen, Sheng Xu, Tailin Xu, Hongping Yan, Xuzhou Yan, Hui Yang, Le Yang, Shuaijian Yang, Lan Yin, Cunjiang Yu, Guihua Yu, Jing Yu, Shu-Hong Yu, Xinge Yu, Evgeny Zamburg, Haixia Zhang, Xiangyu Zhang, Xiaosheng Zhang, Xueji Zhang, Yihui Zhang, Yu Zhang, Siyuan Zhao, Xuanhe Zhao, Yuanjin Zheng, Yu-Qing Zheng, Zijian Zheng, Tao Zhou, Bowen Zhu, Ming Zhu, Rong Zhu, Yangzhi Zhu, Yong Zhu, Guijin Zou, Xiaodong Chen
Summary: Humans are increasingly relying on flexible sensors to address challenges and improve quality of life in the digital and big data era. However, the market adoption of flexible sensors is still limited despite advancements in research. In this paper, we identify the bottlenecks hindering the maturation of flexible sensors and propose potential solutions to expedite their deployment and commercialization.
Article
Chemistry, Physical
Xiaoyan Bao, Dawei Lu, Zining Wang, Hao Yin, Biao Zhu, Bin Chen, Meixiang Shi, Yang Zhang, Qianxin Xu, Yumei Qin, Xing -Can Shen, Kai Wu
Summary: Using solar energy to convert CO2 into value-added chemicals has great potential to address global energy shortage and climate change. This study reports a novel strategy of preparing a boron-doped g-C3N4/TiO2-x composite catalyst (BCT) that shows extended full-spectrum absorption, rapid charge separation, and outstanding CO2 photoreduction performance. The CO2 conversion rate of BCT is 7.5 and 9.2 times higher than that of pure TiO2 and g-C3N4, respectively. Mechanistic studies reveal that the synergistic effects of BCT lower the energy barrier for CO2 conversion by altering charge density distribution. This work provides a new integrated strategy for fabricating efficient catalysts.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Jingxin Dai, Xinwei Zhao, Zhantao Peng, Jie Li, Yuxuan Lin, Xiaojie Wen, Lingbo Xing, Wenhui Zhao, Jian Shang, Yongfeng Wang, Jing Liu, Kai Wu
Summary: A series of defect-free molecular Sierpinski triangles have been fabricated on metal surfaces via electrostatic attraction, enriching our toolbox for bottom-up fabrication of complex functional supramolecular nanostructures.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Nanoscience & Nanotechnology
Gail A. Vinnacombe-Willson, Joy K. Lee, Naihao Chiang, Leonardo Scarabelli, Shouzheng Yue, Ruth Foley, Isaura Frost, Paul S. Weiss, Steven J. Jonas
Summary: We developed a unique seed-mediated in situ synthetic method to directly form gold nanostars on the walls of microfluidic reactors. By growing dense plasmonic substrate coatings in microfluidic channels with different geometries, we investigated the effects of flow rate and profile on reagent consumption, product morphology, and density. Our findings demonstrate the possibility of creating shape gradients or incorporating multiple morphologies in the same microreactor, which is challenging with traditional self-assembly. These plasmonic-microfluidic platforms have significant implications for various applications such as cell culture/sorting, catalysis, sensing, and drug/gene delivery.
ACS APPLIED NANO MATERIALS
(2023)
Article
Materials Science, Multidisciplinary
Hossein Montazerian, Shameek Mitra, Alireza Hassani Najafabadi, Rasoul Seyedmahmoud, Yuting Zheng, Mehmet Remzi Dokmeci, Nasim Annabi, Ali Khademhosseini, Paul S. Weiss
Summary: Inspired by mussel adhesion, catechol functionalization has been widely used to impart adhesion to biomaterials. However, the bioadhesion capacity of catechol motifs in hydrogels that crosslink through free-radical-based systems is debated. This study reevaluates the bioadhesion efficacy of catechol functionalized gelatin biomolecules in methacryloyl-modified photo-cross-linkable biomaterials, and investigates the effects of catechol content on adhesion strength and hydrogel integrity. The cytotoxic and immunostimulatory effects of catechol groups are also evaluated for clinical applications.
ACS MATERIALS LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Hossein Montazerian, Rohan R. R. Sampath, Nasim Annabi, Ali Khademhosseini, Paul S. S. Weiss
Summary: Bioadhesives derived from naturally occurring biological materials have great potential in wound closure and wound healing. These adhesives are more effective and less invasive than conventional methods. Polyphenolic compounds, such as gelatin, play a crucial role in the design and performance of these bioadhesives.
ACCOUNTS OF MATERIALS RESEARCH
(2023)
Article
Nanoscience & Nanotechnology
Isaura M. Frost, Alexandra M. Mendoza, Tzu-Ting Chiou, Philseok Kim, Joanna Aizenberg, Donald B. Kohn, Satiro N. De Oliveira, Paul S. Weiss, Steven J. Jonas
Summary: A cost-effective, non-cytotoxic, and efficient intracellular delivery technology using materials readily available in most research labs has been developed. The system allows for the delivery of various substances into cells, making it accessible for researchers and clinicians in resource-limited areas. The technology has been successfully used to deliver fluorescently labeled dextran, expression plasmids, and RNPs into different cell types with high efficiency and viability.
ACS APPLIED MATERIALS & INTERFACES
(2023)
Review
Chemistry, Multidisciplinary
Tianhan Liu, Paul S. Weiss
Summary: This Perspective discusses the inconsistent definitions, calculations, and analysis methods of spin polarization in chirality-induced spin selectivity (CISS). It proposes a practical and meaningful figure of merit through quantitative analysis of magnetoresistance in CISS transport studies.
Article
Chemistry, Physical
Zining Wang, Yumei Qin, Yu Chen, Yuchen Zhang, Qiwei Chen, Xiong Zhou, Kai Wu
Summary: By designing and fabricating one-dimensional titanium dioxide photocatalysts and incorporating a Pt co-catalyst and oxygen vacancies, efficient transformation of ethanol into value-added 1,1-diethoxyethane has been achieved. This strategy shows high conversion rate, selectivity, and potential for widespread applications.
Article
Chemistry, Physical
Jun Shen, Weihao Yuan, Maryam Badv, Alireza Moshaverinia, Paul S. Weiss
Summary: To enhance the properties of poly(e-caprolactone) (PCL) for biomedical applications, we developed an approach using electrospinning and potassium permanganate chemical modification to create PCL membranes with tunable degradation rates, mechanical properties, and biofunctional features. After a 48-hour treatment, the membrane degraded by losing 25% of its mass over 12 weeks while maintaining its mechanical strength and exhibiting superior biofunctional features. This approach shows significant potential for a range of biomedical applications.
