keyword
https://read.qxmd.com/read/38639312/jedi-a-versatile-code-for-strain-analysis-of-molecular-and-periodic-systems-under-deformation
#1
JOURNAL ARTICLE
Henry Wang, Sanna Benter, Wilke Dononelli, Tim Neudecker
Stretching or compression can induce significant energetic, geometric, and spectroscopic changes in materials. To fully exploit these effects in the design of mechano- or piezo-chromic materials, self-healing polymers, and other mechanoresponsive devices, a detailed knowledge about the distribution of mechanical strain in the material is essential. Within the past decade, Judgement of Energy DIstribution (JEDI) analysis has emerged as a useful tool for this purpose. Based on the harmonic approximation, the strain energy in each bond length, bond angle, and dihedral angle of the deformed system is calculated using quantum chemical methods...
April 21, 2024: Journal of Chemical Physics
https://read.qxmd.com/read/38588581/reversible-photoinduced-ligand-substitution-in-a-luminescent-chromium-0-complex
#2
JOURNAL ARTICLE
Narayan Sinha, Joël Wellauer, Tamar Maisuradze, Alessandro Prescimone, Stephan Kupfer, Oliver S Wenger
Light-triggered dissociation of ligands forms the basis for many compounds of interest for photoactivated chemotherapy (PACT), in which medicinally active substances are released or "uncaged" from metal complexes upon illumination. Photoinduced ligand dissociation is usually irreversible, and many recent studies performed in the context of PACT focused on ruthenium(II) polypyridines and related heavy metal complexes. Herein, we report a first-row transition metal complex, in which photoinduced dissociation and spontaneous recoordination of a ligand unit occurs...
April 8, 2024: Journal of the American Chemical Society
https://read.qxmd.com/read/38579202/quantum-criticality-in-open-quantum-spin-chains-with-nonreciprocity
#3
JOURNAL ARTICLE
Samuel E Begg, Ryo Hanai
We investigate the impact of nonreciprocity on universality and critical phenomena in open quantum interacting many-body systems. Nonreciprocal open quantum systems often have an exotic spectral sensitivity to boundary conditions, known as the Liouvillian skin effect (LSE). By considering an open quantum XXZ spin chain that exhibits LSE, we demonstrate the existence of a universal scaling regime that is not affected by the presence of the LSE. We resolve the critical exponents, which differ from those of free fermions, via tensor network methods and demonstrate that observables exhibit a universal scaling collapse, irrespective of the reciprocity...
March 22, 2024: Physical Review Letters
https://read.qxmd.com/read/38563780/the-use-of-biofield-energy-therapy-as-complementary-and-alternative-medicine-in-human-health-care-system-a-narrative-review-and-potential-mechanisms
#4
REVIEW
Mahendra Kumar Trivedi, Alice Branton, Dahryn Trivedi, Sambhu Mondal, Snehasis Jana
INTRODUCTION: There has been accumulating interest in the application of biofield therapy as complementary and alternative medicine (CAM) to treat various diseases. The practices include reiki, qigong, blessing, prayer, distant healing, known as biofield therapies. This paper aims to state scientific knowledge on preclinical and clinical studies to validate its potential use as an alternative medicine in the clinic. It also provides a more in-depth context for understanding the potential role of quantum entanglement in the effect of biofield energy therapy...
April 3, 2024: Journal of Complementary & Integrative Medicine
https://read.qxmd.com/read/38563694/plausible-mechanisms-in-malignisation-of-non-habit-related-chronic-nonhealing-traumatic-ulcers-of-oral-cavity
#5
JOURNAL ARTICLE
Deepak Pandiar, Reshma Poothakulath Krishnan
Chronic nonhealing ulcers of the oral mucosa and lateral tongue, in particular, can transform into invasive oral squamous cell carcinoma (OSCC). Sometimes these ulcers do not heal even after the removal of the etiological agent that actually initiated these lesions, something similar to what happens in "neoplasia." Numerous factors have been postulated in the literature; however, the exact mechanism remains unclear. We hereby would suggest few plausible factors that could be considered for future studies to shed light on some untapped territories in the pathogenesis of OSCC arising from chronic nonhealing traumatic ulcers in purview of chromoanagenesis and the concepts of "quantum entanglement and coherence...
March 25, 2024: Indian Journal of Pathology & Microbiology
https://read.qxmd.com/read/38553198/chondroitin-sulfate-silk-fibroin-hydrogel-incorporating-graphene-oxide-quantum-dots-with-photothermal-effect-promotes-type-h-vessel-related-wound-healing
#6
JOURNAL ARTICLE
Tanjun Deng, Wenli Lu, Xiaoxian Zhao, Haoyu Wang, Yumeng Zheng, Ao Zheng, Zhengyu Shen
Chronic wounds with bacterial infection present formidable clinical challenges. In this study, a versatile hydrogel dressing with antibacterial and angiogenic activity composite of silk fibroin (SF), chondroitin sulfate (CS), and graphene oxide quantum dots (GOQDs) is fabricated. GOQDs@SF/CS (GSC) hydrogel is rapidly formed through the enzyme catalytic action of horseradish peroxidase. With the incorporation of GOQDs both gelation speed and mechanical properties have been enhanced, and the photothermal characteristics of GOQDs in GSC hydrogel enabled bacterial killing through photothermal treatment (PTT) at ∼51 °C...
June 15, 2024: Carbohydrate Polymers
https://read.qxmd.com/read/38552287/sulfur-quantum-dots-as-sustainable-materials-for-biomedical-applications-current-trends-and-future-perspectives
#7
REVIEW
Ruchir Priyadarshi, Shabnam Pourmoslemi, Ajahar Khan, Zohreh Riahi, Jong-Whan Rhim
Discovered over a decade ago, sulfur quantum dots (SQDs) have rapidly emerged as a sustainable, safe, and inexpensive quantum material. Sustainably synthesizing SQDs using sublimed sulfur powders, typically produced as waste in industrial petrochemical refining processes, has attracted researchers to use these functional quantum materials in various research fields. SQDs quickly found applications in various research fields, such as electronics, environmental sensing, food packaging, and biomedical engineering...
March 20, 2024: Colloids and Surfaces. B, Biointerfaces
https://read.qxmd.com/read/38475547/chaenomelin-a-new-phenolic-glycoside-and-anti-helicobacter-pylori-phenolic-compounds-from-the-leaves-of-salix-chaenomeloides
#8
JOURNAL ARTICLE
Kyung Ah Kim, Dong-Min Kang, Yoon-Joo Ko, Moon-Jin Ra, Sang-Mi Jung, Jeong-Nam Yu, Mi-Jeong Ahn, Ki Hyun Kim
Salix chaenomeloides Kimura, commonly known as pussy willow, is a deciduous shrub and tree belonging to the Salicaceae family. The genus Salix spp. has been known as a healing herb for the treatment of fever, inflammation, and pain relief. The current study aimed to investigate the potential bioactive natural products from S. chaenomeloides leaves and evaluate their antibacterial activity against Helicobacter pylori . A phytochemical investigation of the ethanol (EtOH) extract of S. chaenomeloides leaves led to the isolation of 13 phenolic compounds ( 1 - 13 ) from the ethyl acetate (EtOAc) fraction, which showed antibacterial activity against H...
February 29, 2024: Plants (Basel, Switzerland)
https://read.qxmd.com/read/38460649/a-ph-responsive-tannic-acid-quaternized-carboxymethyl-chitosan-oxidized-sodium-alginate-hydrogels-for-accelerated-diabetic-wound-healing-and-real-time-monitoring
#9
JOURNAL ARTICLE
Zhifei Yang, Chen Wang, Zhiyuan Zhang, Fangzheng Yu, Yu Wang, Jianqiang Ding, Zheng Zhao, Yichao Liu
Treatment of diabetic wounds is a major clinical issue. Diabetic wound dressings have higher requirements for anti-oxidant, antibacterial and wound monitoring properties compared to conventional wound dressings. In this study, a novel tannic acid (TA)/quaternized carboxymethyl chitosan (QCMCS)/oxidized sodium alginate (OSA)@carbon quantum dots (CQD) (TA/QCMCS/OSA@CQD) hydrogels for promoting diabetic wound healing and real-time monitoring have been developed. The TA/QCMCS/OSA@CQD hydrogels exhibited excellent self-healing, antibacterial and antioxidant properties...
March 7, 2024: International Journal of Biological Macromolecules
https://read.qxmd.com/read/38426529/zno-based-0-3d-diverse-nano-architectures-films-and-coatings-for-biomedical-applications
#10
REVIEW
Suresh Babu Naidu Krishna, Jaroon Jakmunee, Yogendra Kumar Mishra, Jai Prakash
Thin-film nano-architecting is a promising approach that controls the properties of nanoscale surfaces to increase their interdisciplinary applications in a variety of fields. In this context, zinc oxide (ZnO)-based various nano-architectures (0-3D) such as quantum dots, nanorods/nanotubes, nanothin films, tetrapods, nanoflowers, hollow structures, etc. have been extensively researched by the scientific community in the past decade. Owing to its unique surface charge transport properties, optoelectronic properties and reported biomedical applications, ZnO has been considered as one of the most important futuristic bio-nanomaterials...
March 1, 2024: Journal of Materials Chemistry. B, Materials for Biology and Medicine
https://read.qxmd.com/read/38395101/cationized-orthogonal-triad-as-a-photosensitizer-with-enhanced-synergistic-antimicrobial-activity
#11
JOURNAL ARTICLE
Xiaoying Hao, Ying Tang, Ruiling Zhang, Zigeng Wang, Min Gao, Ran Wei, Yongxian Zhao, Xueluer Mu, Yingxi Lu, Xianfeng Zhou
Single-molecule-based synergistic phototherapy holds great potential for antimicrobial treatment. Herein, we report an orthogonal molecular cationization strategy to improve the reactive oxygen species (ROS) and hyperthermia generation of heptamethine cyanine (Cy7) for photodynamic and photothermal treatments of bacterial infections. Cationic pyridine (Py) is introduced at the meso-position of the asymmetric Cy7 with intramolecular charge transfer (ICT) to construct an atypical electron-transfer triad, which reduces ΔES1-S0 , circumvents rapid charge recombination, and simultaneously enhances intersystem crossing (ISC) based on spin-orbit charge-transfer ISC (SOCT-ISC) mechanism...
February 21, 2024: Acta Biomaterialia
https://read.qxmd.com/read/38384556/molecular-structure-vibrational-spectral-electron-density-analysis-on-linaloe-oil-and-molecular-docking-efficacy-against-the-therapeutic-target-on-human-immunodeficiency-virus-1-organism-viral-protein
#12
JOURNAL ARTICLE
Chandramohan Uma Maheswari
Natural traditional medicine extensively uses certain terpenes and gives plants their flavor, aroma, and color. Treatments for bacterial infections, malaria, and cardiovascular disorders, anti-inflammatory, promote circulation, and heal wounds. 3,7-Dimethyl-1,6-octadien-3-ol (Linalool) is a naturally occurring monoterpene alcohol with no cycle and is a colorless liquid. Spectral analysis such as UV absorption spectra, NMR for structure determination, and IR and Raman for vibrational analysis. The Quantum mechanical approach uses DFT, ELF, and LOL-promolecular electron density, non-relaxed, and atomic density analysis...
February 29, 2024: Heliyon
https://read.qxmd.com/read/38350008/on-shelf-and-operational-decay-dynamics-of-self-healing-quasi-two-dimensional-perovskite-light-emitting-devices
#13
JOURNAL ARTICLE
Wenbo Liu, Kai Wang, Guoping Wang, Xiao Wei Sun
Currently, the external quantum efficiency (EQE) performance of perovskite light-emitting diodes (PeLEDs) is approaching its theoretical limit. The main drawback of PeLEDs is their stability. Ion migration in the perovskite layer is one of the main causes of the operational decomposition of PeLEDs. Here, we find that butylammonium-based quasi-two-dimensional (quasi-2D) PeLEDs show self-healing ability, revealing the existence of ion migration in the fabricated perovskite layer. Then, on the basis of the analysis of ∼170 operational decay EQE curves, patterns of on-shelf and operational decay in self-healing quasi-2D PeLEDs have been identified...
February 13, 2024: Journal of Physical Chemistry Letters
https://read.qxmd.com/read/38329426/herbal-medicine-inspired-carbon-quantum-dots-with-antibiosis-and-hemostasis-effects-for-promoting-wound-healing
#14
JOURNAL ARTICLE
Xiaofei Zhu, Yu Zhou, Shihai Yan, Shining Qian, Yaohui Wang, Enguo Ju, Chunbing Zhang
Bleeding and bacterial infections are crucial factors affecting wound healing. The usage of herbal medicine-derived materials holds great potential for promoting wound healing. However, the uncertain intrinsic effective ingredients and unclear mechanism of action remain great concerns. Herein, inspired by the herbal medicine Ligusticum wallichii , we reported the synthesis of tetramethylpyrazine-derived carbon quantum dots (TMP-CQDs) for promoting wound healing. Of note, the use of TMP as the precursor instead of L...
February 8, 2024: ACS Applied Materials & Interfaces
https://read.qxmd.com/read/38325585/amyloid-%C3%AE-interferes-with-wound-healing-of-brain-microvascular-endothelial-cells-by-disorganizing-the-actin-cytoskeleton
#15
JOURNAL ARTICLE
Takuma Maeda, Keiya Shimamori, Hiroki Kurita, Kiyotaka Tokuraku, Masahiro Kuragano
Cerebral amyloid angiopathy (CAA) is a disease in which amyloid β (Aβ) is deposited in the cerebral blood vessels, reducing compliance, tearing and weakening of vessel walls, leading to cerebral hemorrhage. The mechanisms by which Aβ leads to focal wall fragmentation and intimal damage are not well understood. We analyzed the motility of human brain microvascular endothelial cells (hBMECs) in real-time using a wound-healing assay. We observed the suppression of cell migration by visualizing Aβ aggregation using quantum dot (QD) nanoprobes...
March 1, 2024: Experimental Cell Research
https://read.qxmd.com/read/38270107/one-stop-integrated-nanoagent-for-bacterial-biofilm-eradication-and-wound-disinfection
#16
JOURNAL ARTICLE
Wentao Wang, Wang Xu, Jianquan Zhang, Yan Xu, Jian Shen, Ninglin Zhou, Yuanyuan Li, Ming Zhang, Ben Zhong Tang
To meet the requirements of biomedical applications in the antibacterial realm, it is of great importance to explore nano-antibiotics for wound disinfection that can prevent the development of drug resistance and possess outstanding biocompatibility. Therefore, we attempted to synthesize an atomically dispersed ion (Fe) on phenolic carbon quantum dots (CQDs) combined with an organic photothermal agent (PTA) (Fe@SAC CQDs/PTA) via a hydrothermal/ultrasound method. Fe@SAC CQDs adequately exerted peroxidase-like activity while the PTA presented excellent photothermal conversion capability, which provided enormous potential in antibacterial applications...
January 25, 2024: ACS Nano
https://read.qxmd.com/read/38242410/a-review-on-multifaceted-biomedical-applications-of-heparin-nanocomposites-progress-and-prospects
#17
REVIEW
Mukesh Kumar Meher, Goutami Naidu, Amit Mishra, Krishna Mohan Poluri
Advances in polymer-based nanocomposites have revolutionized biomedical applications over the last two decades. Heparin (HP), being a highly bioactive polymer of biological origin, provides strong biotic competence to the nanocomposites, broadening the horizon of their applicability. The efficiency, biocompatibility, and biodegradability properties of nanomaterials significantly improve upon the incorporation of heparin. Further, inclusion of structural/chemical derivatives, fractionates, and mimetics of heparin enable fabrication of versatile nanocomposites...
January 17, 2024: International Journal of Biological Macromolecules
https://read.qxmd.com/read/38237149/synthesis-of-tough-and-fluorescent-self-healing-elastomers-by-scandium-catalyzed-terpolymerization-of-pyrenylethenylstyrene-ethylene-and-anisylpropylene
#18
JOURNAL ARTICLE
Lin Huang, Yang Yang, Jingjing Shao, Gang Xiong, Haobing Wang, Masayoshi Nishiura, Zhaomin Hou
The synthesis of fluorescent self-healing polymers by the incorporation of a fluorophore-containing olefin into a polyolefin backbone through catalyst-controlled multicomponent copolymerization is of fundamental interest and practical importance, but such an approach has remained unexplored to date. Herein, we report for the first time the synthesis of tough and fluorescent self-healing polymers by sequence-controlled terpolymerization of 4-[2-(1-pyrenyl)ethenyl]styrene ( Pyr ), ethylene ( E ), and anisylpropylene ( AP ) using a sterically demanding half-sandwich scandium catalyst...
January 18, 2024: Journal of the American Chemical Society
https://read.qxmd.com/read/38192259/higher-hydrogen-fractions-in-dielectric-polymers-boost-self-healing-in-electrical-capacitors
#19
JOURNAL ARTICLE
Vitaly V Chaban, Nadezhda A Andreeva
Electrical capacitors are omnipresent in modern electronic devices, in which they swiftly release large portions of energy on demand. The capacitors may suffer from arc discharges due to local structural heterogeneities in their components and inappropriate exploitation practices. High energies of the arc discharge are transferred as phonons to the electrode and dielectric film, which burn out locally. The dielectric breakdown takes place. The complete burnout leads to the isolation of the failed region and the capacitor's self-healing...
January 9, 2024: Physical Chemistry Chemical Physics: PCCP
https://read.qxmd.com/read/38175134/detecting-topological-index-of-randomly-scattered-v-point-singularities-using-stokes-correlations
#20
JOURNAL ARTICLE
Akanksha Gautam, Gauri Arora, P Senthilkumaran, Rakesh Kumar Singh
Topological defects in vector fields constitute polarization singularities that have numerous applications in classical and quantum optics. These beams are inhomogeneously polarized and are shown to self-heal under symmetric amplitude perturbations. Polarization singular beams are characterized using a singularity index that can be detected using Stokes polarimetry or other interferometric and diffraction approaches. However, the information about the singularity index is lost when these beams travel through random scattering media; this results in a spatially fluctuating polarization pattern known as polarization speckle...
January 1, 2024: Journal of the Optical Society of America. A, Optics, Image Science, and Vision
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