Communication: Electronic flux induced by crossing the transition state

We present a new effect of chemical reactions, e.g., isomerizations, that occurs when the reactants pass along the transition state, on the way to products. It is based on the well-known fact that at the transition state, the electronic structure of one isomer changes to the other. We discover that this switch of electronic structure causes a strong electronic flux that is well distinguishable from the usual flux of electrons that travel with the nuclei. As a simple but clear example, the effect is demonstrated here for bond length isomerization of Na2 (21Σ+u), with adiabatic crossing the barrier between the inner and outer wells of the double minimum potential that support different “Rydberg” and “ionic” type electronic structures, respectively

Multi-scale Recurrent LSTM and Transformer Network for Depth Completion

Lidar depth completion is a new and hot topic of depth estimation. In this task, it is the key and difficult point to fuse the features of color space and depth space. In this paper, we migrate the classic LSTM and Transformer modules from NLP to depth completion and redesign them appropriately. Specifically, we use Forget gate, Update gate, Output gate, and Skip gate to achieve the efficient fusion of color and depth features and perform loop optimization at multiple scales. Finally, we further fuse the deep features through the Transformer multi-head attention mechanism. Experimental results show that without repetitive network structure and post-processing steps, our method can achieve state-of-the-art performance by adding our modules to a simple encoder-decoder network structure. Our method ranks first on the current mainstream autonomous driving KITTI benchmark dataset. It can also be regarded as a backbone network for other methods, which likewise achieves state-of-the-art performance

Employing a Narrow-Band-Gap Mediator in Ternary Solar Cells for Enhanced Photovoltaic Performance.

Ternary organic solar cells (OSCs) provide a convenient and effective means to further improve the power conversion efficiency (PCE) of binary ones via composition control. However, the role of the third component remains to be explored in specific binary systems. Herein, we report ternary blend solar cells by adding the narrow-band-gap donor PCE10 as the mediator into the PBDB-T:IDTT-T binary blend system. The extended absorption, efficient fluorescence resonance energy transfer, enhanced charge dissociation, and induced tighter molecular packing of the ternary blend films enhance the photovoltaic properties of devices and deliver a champion PCE of 10.73% with an impressively high open-circuit voltage (VOC) of 1.03 V. Good miscibility and similar molecular packing behavior of the components guarantee the desired morphology in the ternary blend films, leading to solar cell devices with over 10% PCEs at a range of compositions. Our results suggest that ternary systems with properly aligned energy levels and overlapping absorption among the components hold great promises to further enhance the performance of corresponding binary ones

Nuclear versus electronic ring currents in oriented torsional molecules induced by magnetic fields. I. Nuclear currents of toluene

We develop the theory of nuclear ring currents induced by external magnetic fields in torsional molecules. The theory is applied to toluene, whose torsion axis is oriented along the magnetic field. We obtain magnetically induced diatropic and paratropic contributions to the nuclear ring current flowing in the classical and nonclassical directions, respectively. In the electronic and torsional and rotational ground state of toluene, the strengths of the diatropic and paratropic nuclear ring-current susceptibilities are -19.9 pA/T and 0.4 fA/T, respectively, yielding a net current strength of -19.9 pA/T. The paratropic contribution is very small because the torsional barrier of toluene is very low. The study suggests criteria for observing significant magnetically induced nuclear ring currents in torsional molecules whose axis is oriented along the magnetic field.Peer reviewe

Development of a core outcome set for cardiovascular diabetology: a methodological framework

BackgroundCardiovascular diabetology is an emergent field focusing on all aspects of diabetes/cardiovascular interrelationship and metabolic syndrome. High-quality evidence needs to be provided to determine the efficacy and safety of interventions in cardiovascular diabetology. The heterogeneity of outcomes among trials limits the comparison of results, and some outcomes are not always meaningful to end-users. The cardiovascular diabetology core outcome set (COS) study aims to develop a COS of interventions for cardiovascular diabetology. In this paper, we introduce the methodological framework for developing the COS.MethodsThe COS development will include the following steps: (a) establish the COS groups of stakeholders, including international steering committee, Delphi survey group, and consensus meeting group; (b) systematic reviews of outcomes used in trials of cardiovascular diabetology; (c) semistructured interview of stakeholders for outcomes of cardiovascular diabetology; (d) generate a list of candidate outcomes and determine the original outcome pool; (e) Delphi survey with stakeholders of cardiovascular diabetology to select potential core outcomes; and (f) review and endorse the cardiovascular diabetology COS by expert consensus meeting.ConclusionsThis current study reports the methodological framework to develop a COS in cardiovascular diabetology and will provide evidence for the future development of COS in cardiovascular diabetology

Anatomical physiological and biochemical processes involved in grapevine rootstock drought tolerance

In order to explore the drought resistance mechanism of grape rootstocks, two grape rootstock species, '1103P' (a drought-tolerant rootstock) and '101-14M' (drought-sensitive), were treated with moderate water deficit (field capacity of 45-50 %). Throughout the experimental period, the leaves of '1103P' showed a higher stomatal conductance (gs), relative water content and photosynthetic rate (Pn) than '101-14M', indicating '1103P' was more resistant to tolerant than '101-14M'. We propose that '1103P' could prevent water loss from leaves under drought conditions based on the discoveries that '1103P' had higher leaf phytohormone abscisic acid (ABA) content and leaf cuticular wax content, and smaller stomata aperture than those of '101-14M'. Additionally, the activities of H2O2-scavenging enzymes in leaves of '1103P' were higher than those of '101-14M' under drought conditions, indicating the lipid peroxidation induced by H2O2 of '1103P' was less serious than that of '101-14M'. Therefore, better water-saving and higher reactive oxygen species (ROS) scavenging abilities contributed together to stronger drought resistance of '1103P' than '101-14M'