Triplet-Triplet Annihilation Upconversion from Red to Blue Light Using a TADF Sensitizer Based Polymer.

Molecules capable of thermally activated delayed fluorescence (TADF) can exhibit triplet lifetimes on the order of μs-ms as well as low energy losses in the intersystem crossing (ISC) process. As a result, they have great potential to be used as sensitizers in triplet-triplet annihilation upconversion (TTA-UC) systems with high anti-Stokes shifts, replacing traditional phosphorescent sensitizers. In this study, we employ a red-absorbing boron difluoride curcuminoid-based TADF molecule as the sensitizer and a 9,10-diphenylanthracene derivative as the annihilator.

BRD7 suppresses tumor chemosensitivity to CHK1 inhibitors by inhibiting USP1-mediated deubiquitination of CHK1.

Checkpoint kinase 1 (CHK1), a key effector in the cellular response to DNA lesions, is a crucial component of all cell cycle checkpoints. Recent reports have revealed that CHK1 is highly expressed in numerous cancer types in the clinical settings. However, the mechanisms underlying the regulation of CHK1 expression in tumor cells remain unclear.

Deubiquitinase USP33 is negatively regulated by β-TrCP through ubiquitin-dependent proteolysis.

Ubiquitin-mediated proteolysis regulates cellular levels of various proteins, and therefore plays important roles in controlling cell signaling and disease progression. The Skp1-Cul1-F-box ubiquitin ligase β-TrCP is recognized as an important negative regulator for numerous key signaling proteins. Recently, the deubiquitinases (DUBs) have turned out to be essential to regulate signaling pathways related to human diseases.

Ultralow-power near-infrared excited neodymium-doped nanoparticles for long-term in vivo bioimaging.

Lanthanide-doped luminescent nanoparticles with both emission and excitation in the near-infrared (NIR-to-NIR) region hold great promise for bioimaging. Herein, core@shell structured LiLuF:Nd@LiLuF (named as Nd@Lu) nanoparticles (NPs) with highly efficient NIR emission were developed for high-performance in vivo bioimaging. Strikingly, the absolute quantum yield of Nd@Lu NPs reached as high as 32%.

Ubiquitin-dependent Turnover of Adenosine Deaminase Acting on RNA 1 (ADAR1) Is Required for Efficient Antiviral Activity of Type I Interferon.

Adenosine deaminase acting on RNA 1 (ADAR1) catalyzes RNA editing of cellular and viral RNAs. Besides RNA editing, ADAR1 has recently been shown to play important roles in maintaining the body balance, including tissue homoeostasis, organ development, and autoimmune regulations, by inhibiting both IFN production and subsequent IFN-activated pathways. Accordingly, the question was raised how IFN signaling induced by viral infections overcomes the inhibitory effect of constitutively expressed ADAR1 (ADAR1-P110) to execute efficient antiviral activity.

Deubiquitinase USP2a Sustains Interferons Antiviral Activity by Restricting Ubiquitination of Activated STAT1 in the Nucleus.

STAT1 is a critical transcription factor for regulating host antiviral defenses. STAT1 activation is largely dependent on phosphorylation at tyrosine 701 site of STAT1 (pY701-STAT1). Understanding how pY701-STAT1 is regulated by intracellular signaling remains a major challenge.

A Scheme to Optimize Flow Routing and Polling Switch Selection of Software Defined Networks.

This paper aims at minimizing the communication cost for collecting flow information in Software Defined Networks (SDN). Since flow-based information collecting method requires too much communication cost, and switch-based method proposed recently cannot benefit from controlling flow routing, jointly optimize flow routing and polling switch selection is proposed to reduce the communication cost. To this end, joint optimization problem is formulated as an Integer Linear Programming (ILP) model firstly.

Photonic radio-frequency phase shifter based on polarization interference.

An rf photonic phase shifter based on polarization interference is presented, and the theoretical fundamentals of the design are explained. This phase shifter provides broad operational bandwidth and a full 360 degrees phase-shift tuning range with a single external electrical control. A prototype of the rf photonic phase shifter with a frequency of 26.

Hydrogen-bond network and local structure of liquid water: An atoms-in-molecules perspective.

The nearly linear relationship between hydrogen-bond strength at the CCSD(T)/Aug-cc-pVTZ level and the electron density at the bond critical point in the atoms-in-molecules theory provides a practical means of calculating the hydrogen-bond strength in liquid water. A statistical analysis of the hydrogen-bonds obtained from Car-Parrinello molecular dynamics simulations shows that the strengths of hydrogen bonds in liquid water conform to a Gaussian distribution. Considering supercooled (250 K) water to have a fully coordinated (icelike) local tetrahedral configuration, we show that the local structure of liquid water is partly distorted tetrahedral in normal liquid water and even in superheated water.

A new heuristic algorithm with shared segment-backup paths for trap avoidance in survivable optical networks.

This paper proposes a new heuristic algorithm, called Quick Method with Shared Protection (QMSP), to protect the single-link failure in survivable WDM optical networks. QMSP first computes one primary path for each connection request. If the primary path is a trap path, QMSP will compute two segment-backup paths to avoid the trap problem based on the routing policy.

Analysis of the effect of spin-orbit coupling on the electronic structure and excitation spectrum of the Bi2(2-) anion in (K-crypt)2Bi2 on the basis of relativistic electronic structure calculations.

The Bi2(2-) anions that have been characterized in (K-crypt)2Bi2 are isoelectronic with O2 but are diamagnetic and EPR-silent, unlike O2. The UV-vis spectrum measured for (K-crypt)2Bi2 shows two broad absorption peaks located at 2.05 and 2.

Atomic orbitals in molecules: general electronegativity and improvement of Mulliken population analysis.

An approach of atomic orbitals in molecules (AOIM) has been developed to study the atomic properties in molecules, in which the molecular orbitals are expressed in terms of the optimized minimal atomic orbitals. The atomic electronegativities are calculated using Pauling's electronegativity of free atom and are employed to find the electronegativity equilibrium in molecules and to describe the amphoteric properties of the transition metals from the groups 4 to 10. AOIM can also improve the numerical stability and accuracy of the original Mulliken population analysis.

Dynamic segment shared protection algorithm for reliable wavelength-division-multiplexing mesh networks.

With the maturation of the technology of Wavelength-Division-Multiplexing (WDM) in optical networks, the survivable design has become a key issue. In this paper, we propose a Segment Shared Protection Algorithm (SSPA), which is based on the reliability of the networks and the different levels of the fault tolerance requested by the users, to protect the single-link failure in WDM optical networks. The main idea of the SSPA is to provide a backup path for a segment, which is divided in accordance with the policy of the Differentiated Reliability (DiR), on the primary path of each connection request.

Burst segmentation for void-filling scheduling and its performance evaluation in optical burst switching.

As a promising solution for the next generation optical Internet, optical burst switching still has much to be improved, especially the design of core routers. This paper mainly focuses on channel scheduling algorithms of core routers and proposes a new practical scheduling algorithm. In the new algorithm, burst segmentation, one of the contention resolution schemes that are another major concern in core router design, is introduced.

Path protection algorithm with trade-off ability for survivable wavelength-division-multiplexing mesh networks.

We present a new path protection algorithm, called resource sharing degree constraints (RSDCs), for survivable wavelength-divisionmultiplexing mesh networks. We define a parameter k to adjust the resource sharing degree (RSD). When we compute the reserved backup wavelengths, if the RSD is larger than the value of k, more wavelengths are assigned until the RSD is not greater than the value of k.

Parallelization of MRCI based on hole-particle symmetry.

The parallel implementation of multireference configuration interaction program based on the hole-particle symmetry is described. The platform to implement the parallelization is an Intel-Architectural cluster consisting of 12 nodes, each of which is equipped with two 2.4-G XEON processors, 3-GB memory, and 36-GB disk, and are connected by a Gigabit Ethernet Switch.

An efficient method for constructing nonorthogonal localized molecular orbitals.

A new method for constructing nonorthogonal localized molecular orbitals (NOLMOs) is presented. The set of highly localized NOLMOs is obtained by minimization of the spread functional starting from an initial set of canonical orthogonal molecular orbitals. To enhance the stability and efficiency, the centroids of the NOLMOs are constrained to be those of the corresponding orthogonal localized molecular orbitals (OLMOs), which are obtained with the Boys criterion in advance.

Joint routing-selection algorithm for a shared path with differentiated reliability in survivable wavelength-division-multiplexing mesh networks.

A routing-selection algorithm is important in survivable wavelength-division networks. A sound algorithm should carefully consider the efficiency of resource utilization and the protection-switching time. Under shared-risk link group constraints with differentiated reliability (DiR), a novel algorithm for a shared path, called a joint routing-selection algorithm (JRSA) with DiR, is proposed.

Numerical examination of performance of some exchange-correlation functionals for molecules containing heavy elements.

The performance of 17 exchange-correlation functionals for molecules containing heavy elements are numerically examined through four-component relativistic density DFT calculations. The examined functionals show the similar accuracy as they do for the molecules containing light elements only except for bond lengths. LDA and OP86 produce good results for bond lengths and frequencies but bad bond energies.

Analytical energy gradient evaluation in relativistic and nonrelativistic density functional calculations.

The expressions of analytical energy gradients in density functional theory and their implementation in programs are reported. The evaluation of analytical energy gradients can be carried out in the fully 4-component relativistic, approximate relativistic, and nonrelativistic density functional calculations under local density approximation or general gradient approximation with or without frozen core approximation using different basis sets in our programs. The translational invariance condition and the fact that the one-center terms do not contribute to the energy gradients are utilized to improve the calculation accuracy and to reduce the computational effort.