Article
Chemistry, Medicinal
Wei Shi, Jianxin Zhang, Liya Liu, Wanzhen Li, Zhi Liu, Anni Ren, Jie Wang, Caihong Tang, Yang Yang, Dandan Xu, Qianqian Huang, Yongqin Wang, Caili Luo, Wei Huang, Feng Tang
Summary: The inadequate understanding of the structure-activity relationship (SAR) of glycosite-specific antibody-drug conjugates (ADCs) hinders its design and development. In this study, we constructed and examined 50 gsADC structures with various glycan subtypes and linker-drug combinations to reveal the systematic SAR and structure-toxicity relationship (STR) of gsADCs. Our findings suggest that the use of extra hydrophilic linkers is crucial for intact glycan-based gsADCs to improve in vivo efficacy. Additionally, gsADCs that conjugate linker-drug complexes onto the terminal sialic acid demonstrate greater stability and potency compared to those conjugated onto the terminal galactose. Moreover, LacNAc-based gsADCs, which adopt a shorter spacer and locate the linker-drug more inside the immunoglobulin class G (IgG) Fc cavity, exhibit excellent hydrophilicity, in vivo activity, pharmacokinetics, and safety. Overall, we found that concealing the linker-toxin within the Fc cavity can significantly enhance the therapeutic index of LacNAc-based gsADCs, facilitating the design of ADCs with optimal druggability.
JOURNAL OF MEDICINAL CHEMISTRY
(2023)
Article
Multidisciplinary Sciences
Ilia Korobko, Robin Benjamin Eberle, Mousam Roy, Amnon Horovitz
Summary: This study shows that the stability of protein substrates in the GroEL/ES chaperonin cage is dramatically reduced, partially due to a diminished hydrophobic effect. The reduced hydrophobic effect is likely caused by water ordering due to a small number of hydration shells between the cavity and protein substrate surfaces.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2022)
Article
Biochemistry & Molecular Biology
Zaid Kamal Madni, Amit Kumar, Ujjwal Kumar, Deepika Jaiswal, Dinakar M. Salunke
Summary: Nonspecific lipid transfer proteins are multifunctional seed proteins that can bind and transfer different lipid molecules. The crystal structure and molecular dynamics simulation of the lipid transfer protein from Solanum melongena reveal the mobility and orientation change of lipid molecules inside the hydrophobic cavity.
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
(2023)
Article
Chemistry, Applied
Pengcheng Xu, Yuxiang Qian, Ren Wang, Zhengxing Chen, Tao Wang
Summary: This study prepared water-soluble curcumin-loaded nanoparticles using hydrophobic rice proteins (RPs). The curcumin was entrapped inside the hydrophobic reservoir formed by the acid-induced refolding of RPs, resulting in excellent colloidal stability and prominent antioxidant properties of the nanoparticles.
Article
Engineering, Mechanical
Jiri Naprstek, Cyril Fischer
Summary: The paper presents an analytical study on the behavior of a ball vibration absorber, analyzing the dynamics of trajectories of a heavy ball moving inside a spherical cavity. By neglecting energy dissipation and kinematic excitation, the study derived a governing system and defined three first integrals to evaluate trajectory types with respect to system parameters. The analytical investigation enabled broad parametric studies and showed good agreement with numerical simulations based on the Lagrangian approach and Appell-Gibbs function.
NONLINEAR DYNAMICS
(2021)
Article
Chemistry, Physical
Avishek Kumar, Nitin Kumar Singh, Deepshikha Ghosh, Mithun Radhakrishna
Summary: Protein folding is a complex process and the mechanism behind it remains a puzzle to researchers. Small proteins fold quickly while large proteins may take longer. Chaperones with hydrophobic patchy domains are crucial in preventing misfolding and aggregation of proteins.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2021)
Article
Biochemistry & Molecular Biology
Chikashi Ota, Shun-ichi Tanaka, Kazufumi Takano
Summary: The main factor of ANS-protein binding is found to be the microenvironment at the binding site, which restricts the attached ANS molecule, rather than diffusion-limited association.
Article
Chemistry, Physical
Rahul Sahu, Divya Nayar
Summary: This study investigates the effects of chemical nature and soft attractive energy of crowders on water-mediated hydrophobic interactions between non-polar solutes using molecular dynamics simulations. The results show that different types of crowders have varying effects on hydrophobic interactions, with small-sized crowders primarily driving the interaction through an entropic depletion effect, and bulky crowders strengthening it through preferential interactions with the solute. The findings suggest that both entropic and energetic effects play crucial roles in determining hydrophobic associations.
JOURNAL OF CHEMICAL PHYSICS
(2021)
Article
Optics
E. Urunuela, M. Ammenwerth, P. Malik, L. Ahlheit, H. Pfeifer, W. Alt, D. Meschede
Summary: High-bandwidth fiber-based optical cavities are useful for coupling stationary qubits and photons in future quantum networks. However, the Purcell effect hinders fluorescence imaging in high-bandwidth cavities. This study restores imaging of Rb-87 atoms coupled to a fiber Fabry-Perot cavity by detecting repumper fluorescence. Spectroscopic investigations are conducted to understand the effects of repumper-induced light shifts on Raman resonance, providing insights into dipole-force fluctuations in the heating dynamics of trapped atoms.
Article
Mechanics
A. A. Dhankarghare, T. Jayachandran, T. M. Muruganandam
Summary: A study was conducted on flow dynamics in strut cavity and wall cavity at different freestream Mach numbers using numerical simulations. The results showed that oscillations occurred in both cavities for low supersonic Mach numbers and decreased for high values, with the strut cavity responding better to the change in Mach number. The study explored wave propagation and interactions inside the cavities, discussed secondary recirculation, revisited the process of wave generation, provided insights into vortex propagation along the cavity length, and described and compared mass exchange between the cavities and freestream.
Article
Optics
Chaofan Zhou, Yusef Maleki, Zeyang Liao, M. Suhail Zubairy
Summary: We studied the emission of a single-photon by a two-level emitter inside an atomic cavity consisting of two atomic mirrors coupled to a one-dimensional waveguide. We achieved a frequency comb and spectrum narrowing in the waveguide with symmetric setting, and unidirectional spectrum narrowing with asymmetric parameters. By modulating atomic separations, we were able to control the central frequency of the narrowed spectra. Entanglement sudden birth and revival were observed between the mirrors due to the collective interaction among the emitters.
Article
Thermodynamics
J. Chen, B. X. Wang, C. Y. Zhao
Summary: A theoretical model is proposed to study the near-field radiative heat transfer between SiC/Au nanoparticles in a cavity comprised of two semi-infinite SiC plates. The cavity configuration is found to greatly enhance the heat transfer between the nanoparticles, with amplification exceeding seven orders of magnitude for SiC nanoparticles and two orders of magnitude for Au nanoparticles. Moreover, the electric contribution can surpass the magnetic contribution for Au nanoparticles. The strong coupling between the surface modes of the SiC plates is shown to play a major role in this significant amplification. Additionally, the cavity configuration enables super-diffusive radiative heat transport in one-dimensional SiC nanoparticle chains, allowing for ballistic heat transport. These findings have potential applications in nanoscale thermal management.
INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER
(2022)
Article
Thermodynamics
Yang Zhang, Haitao Lin, Rishabh Chaturvedi, Pradeep Kumar Singh, Ibrahim B. Mansir, KePing Zhang, Javid Alhoee
Summary: Using natural phenomena like free convection and modern nanostructures called NEPCM can improve heat transfer in lid-driven problems. This study simulated mixed convection of ethylene glycol and NEPCM in a lid-driven cavity with a rotating cylinder to assess the influence of Grashof number, cylinder speed, and NEPCM concentration on heat transfer characteristics. The results showed that a 6% concentration of NEPCM increased the mean Nusselt number by 41.7%, while the cylinder speed increased it by 38.7%. Additionally, an optimum concentration of 4% was observed for a Grashof number of 104.
CASE STUDIES IN THERMAL ENGINEERING
(2023)
Article
Food Science & Technology
Rongrong Ma, Xintian Wang, Hao Lu, Yaoqi Tian
Summary: Debranched starch (DBS) can be used as a wall material to protect guest molecules, with the hydrophobic cavity size being a crucial parameter for the formation of inclusion complexes. The cavity sizes of DBS with different average degrees of polymerization were evaluated using carbon nanotubes, indicating potential for guiding the encapsulation of macromolecular guests by DBS.
LWT-FOOD SCIENCE AND TECHNOLOGY
(2022)
Article
Optics
Xiaotian Nie, Wei Zheng
Summary: In this work, we investigate the nonequilibrium dynamics of one-dimensional spinless fermions loaded in a cavity with imbalanced pumping lasers. We propose a unidirectional topological pumping scheme based on the hysteresis structure in the bistable regime.
