Opinion Mining by Convolutional Neural Networks for Maximizing Discoverability of Nanomaterials.

The scientific literature contains valuable information that can be used for future applications, but manual analysis presents challenges due to its size and disciplinary boundaries. The prevailing solution involves natural language processing (NLP) techniques such as information retrieval. Nonetheless, existing automated systems primarily provide either statistically based shallow information or deep information without traceability, thereby falling short of delivering high-quality and reliable insights. To address this, we propose an innovative approach of leveraging sentiment information embedded within the literature to track the opinions toward materials. In this study, we integrated material knowledge into text representation and constructed opinion data sets to hierarchically train deep learning models, named as Scientific Sentiment Network (SSNet). SSNet can effectively extract knowledge from the energy material literature and accurately categorize expert opinions into challenges and opportunities (94% and 92% accuracy, respectively). By incorporating sentiment features determined by SSNet, we can predict the ranking of emerging thermoelectric materials with a 70% correlation to experimental outcomes. Furthermore, our model achieves a commendable 68% accuracy in predicting suitable nanomaterials for atomic layer deposition (ALD) over time. These promising results offer a practical framework to extract and synthesize knowledge from the scientific literature, thereby accelerating research in the field of nanomaterials.

Enhanced Mono/Divalent Ion Separation via Charged Interlayer Channels in Montmorillonite-Based Membranes.

Efficient mono- and divalent ion separation is pivotal for environmental conservation and energy utilization. Two-dimensional (2D) materials featuring interlayer nanochannels exhibit unique water and ion transport properties, rendering them highly suitable for water treatment membranes. In this work, we incorporated polydopamine/polyethylenimine (PDA/PEI) copolymers into 2D montmorillonite (MMT) nanosheet interlayer channels through electrostatic interactions and bioinspired bonding. A modified laminar structure was formed on the substrate surface via a straightforward vacuum filtration. The electrodialysis experiments reveal that these membranes could achieve monovalent permselectivity of 11.06 and Na+ flux of 2.09 × 10-8 mol cm-2 s-1. The enhanced permselectivity results from the synergistic effect of electrostatic and steric hindrance effect. In addition, the interaction between the PDA/PEI copolymer and the MMT nanosheet ensures the long-term operational stability of the membranes. Theoretical simulations reveal that Na+ has a lower migration energy barrier and higher migration rate for the modified MMT-based membrane compared to Mg2+. This work presents a novel approach for the development of monovalent permselective membranes.

The gC1qR Binding Site Mutant PCV2 Is a Potential Vaccine Strain That Does Not Impair Memory CD4+ T-Cell Generation by Vaccines.

PCV2 has been reported to reduce the protective effects of various vaccines on immunized pigs. Our previous studies showed that the interaction of Cap and host protein gC1qR mediated the PCV2 infection-induced suppression of immune response. Thus, we wondered whether the gC1qR binding site mutant PCV2RmA could be a vaccine strain and whether this mutant PCV2RmA impairs other vaccines. Herein, we showed that PCV2 infection reduced the classic swine fever virus (CSFV) vaccine-induced generation of memory CD4+ T cells through the interaction of Cap with gC1qR. PCV2RmA can effectively induce the production of PCV2-specific antibodies, neutralizing antibodies, and peripheral blood lymphocyte proliferation in piglets at the same levels as the commercial inactivated PCV2 vaccine. The PCV2RmA-induced anti-PCV2 immune responses could eliminate the serum virus and would not lead to pathological lesions like wild-type PCV2. Moreover, compared to the commercial inactivated PCV2 vaccine, PCV2RmA is capable of inducing more durable protective immunity against PCV2 that induced production of PCV2-specific antibodies and neutralizing antibodies for a longer time via stronger induction of memory CD4+ T cells. Importantly, PCV2RmA infection did not impair the CSFV vaccine-induced generation of memory CD4+ T cells. Collectively, our findings showed that PCV2 infection impairs memory CD4+ T-cell generation to affect vaccination and provide evidence for the use of PCV2RmA as an efficient vaccine to prevent PCV2 infection. IMPORTANCE PCV2 is one of the costliest pathogens in pigs worldwide. Usage of PCV2 vaccines can prevent the PCV2 infection-induced clinical syndromes but not the viral spread. Our previous work found that PCV2 infection suppresses the host type I interferon innate immune response and CD4+ T-cell-mediated Th1 immune response through the interaction of Cap with host gC1qR. Here, we showed that the gC1qR binding site mutant PCV2RmA could effectively induce anti-PCV2 immunity and provide more durable protective immunity against wild-type PCV2 infection in pigs. PCV2RmA would not impair the generation of memory CD4+ T cells induced by classic swine fever virus (CSFV) vaccines as wild-type PCV2 did. Therefore, PCV2RmA can serve as a potential vaccine strain to better protect pigs against PCV2 infection.

Large-Grain Spanning Monolayer Cu2 ZnSnSe4 Thin-Film Solar Cells Grown from Metal Precursor.

The persistent double layer structure whereby two layers with different properties form at the front and rear of absorbers is a critical challenge in the field of kesterite thin-film solar cells, which imposes additional nonradiative recombination in the quasi-neutral region and potential limitation to the transport of hole carriers. Herein, an effective model for growing monolayer CZTSe thin-films based on metal precursors with large grains spanning the whole film is developed. Voids and fine grain layer are avoided successfully by suppressing the formation of a Sn-rich liquid metal phase near Mo back contact during alloying, while grain coarsening is greatly promoted by enhancing mass transfer during grain growth. The desired morphology exhibits several encouraging features, including significantly reduced recombination in the quasi-neutral region that contributes to the large increase of short-circuit current, and a quasi-Ohmic back contact which is a prerequisite for high fill factor. Though this growth mode may introduce more interfacial defects which require further modification, the strategies demonstrated remove a primary obstacle toward higher efficiency kesterite solar cells, and can be applicable to morphology control with other emerging chalcogenide thin films.

10.3% Efficient Green Cd-Free Cu2 ZnSnS4 Solar Cells Enabled by Liquid-Phase Promoted Grain Growth.

Small grain size and near-horizontal grain boundaries are known to be detrimental to the carrier collection efficiency and device performance of pure-sulfide Cu2 ZnSnS4 (CZTS) solar cells. However, forming large grains spanning the absorber layer while maintaining high electronic quality is challenging particularly for pure sulfide CZTS. Herein, a liquid-phase-assisted grain growth (LGG) model that enables the formation of large grains spanning across the CZTS absorber without compromising the electronic quality is demonstrated. By introducing a Ge-alloyed CZTS nanoparticle layer at the bottom of the sputtered precursor, a Cu-rich and Sn-rich liquid phase forms at the high temperature sulfurization stage, which can effectively remove the detrimental near-horizontal grain boundaries and promote grain growth, thus greatly improving the carrier collection efficiency and reducing nonradiative recombination. The remaining liquid phase layer at the rear interface shows a high work function, acting as an effective hole transport layer. The modified morphology greatly increases the short-circuit current density and fill factor, enabling 10.3% efficient green Cd-free CZTS devices. This work unlocks a grain growth mechanism, advancing the morphology control of sulfide-based kesterite solar cells.

The Influence of Climate Change on Droughts and Floods in the Yangtze River Basin from 2003 to 2020.

In recent decades, extreme floods and droughts have occurred frequently around the world, which seriously threatens the social and economic development and the safety of people's lives and properties. Therefore, it is of great scientific significance to discuss the causes and characteristic quantization of extreme floods and droughts. Here, the terrestrial water storage change (TWSC) derived from the Gravity Recovery and Climate Experiment (GRACE) and its Follow-On (GRACE-FO) data was used to characterize the floods and droughts in the Yangtze River basin (YRB) during 2003 and 2020. To reduce the uncertainty of TWSC results, the generalized three-cornered hat and least square methods were used to fuse TWSC results from six GRACE solutions. Then combining precipitation (PPT), evapotranspiration, soil moisture (SM), runoff, and extreme climate index data, the influence of climate change on floods and droughts in the YRB was discussed and analyzed. The results show that the fused method can effectively improve the uncertainty of TWSC results. And seven droughts and seven floods occurred in the upper of YRB (UY) and nine droughts and six floods appeared in the middle and lower of YRB (MLY) during the study period. The correlation between TWSC and PPT (0.33) is the strongest in the UY, and the response time between the two is 1 month, while TWSC and SM (0.67) are strongly correlated with no delay in the MLY. The reason for this difference is mainly due to the large-scale hydropower development in the UY. Floods and droughts in the UY and MLY are more influenced by the El Niño-Southern Oscillation (ENSO) (correlation coefficients are 0.39 and 0.50, respectively) than the Indian Ocean Dipole (IOD) (correlation coefficients are 0.19 and 0.09, respectively). The IOD event is usually accompanied by the ENSO event (the probability is 80%), and the hydrological hazards caused by independent ENSO events are less severe than those caused by these two extreme climate events in the YRB. Our results provide a reference for the study on the formation, development, and recovery mechanism of regional floods and droughts on a global scale.

Thermo-Sensitive Dual-Functional Nanospheres with Enhanced Lubrication and Drug Delivery for the Treatment of Osteoarthritis.

Osteoarthritis is a typical degenerative joint disease related to a lubrication deficiency of articular cartilage, which is characterized by increased friction at the joint surface and severe inflammation of the joint capsule. Consequently, therapies combining lubrication restoration and drug intervention are regarded as a promising strategy for the treatment of osteoarthritis. In the present study, thermo-sensitive dual-functional nanospheres, poly[N-isopropylacrylamide-2-methacryloyloxyethyl phosphorylcholine] (PNIPAM-PMPC), are developed through emulsion polymerization. The PNIPAM-PMPC nanospheres could enhance lubrication based on the hydration lubrication mechanism by forming a tenacious hydration layer surrounding the zwitterionic headgroups, and achieve local drug delivery by encapsulating the anti-inflammatory drug diclofenac sodium. The lubrication and drug release tests showed improved lubrication and thermo-sensitive drug release of the nanospheres. The in vitro test using cytokines-treated chondrocytes indicated that the PNIPAM-PMPC nanospheres were biocompatible and upregulated anabolic genes and simultaneously downregulated catabolic genes of the articular cartilage. In summary, the developed PNIPAM-PMPC nanospheres, with the property of enhanced lubrication and local drug delivery, can be an effective nanomedicine for the treatment of osteoarthritis.

Low-energy photoelectron interference structure in attosecond streaking.

By numerically solving the time-dependent Schrödinger equation, we theoretically investigate the dynamics of the low-energy photoelectrons ionized by a single attosecond pulse in the presence of an infrared laser field. The obtained photoelectron momentum distributions exhibit complicated interference structures. With the semiclassical model, the originations for the different types of the interference structures are unambiguously identified. Moreover, by changing the time delay between the attosecond pulse and the infrared laser field, these interferences could be selectively enhanced or suppressed. This enables us to extract information about the ionization dynamics encoded in the interference structures. As an example, we show that the phase of the electron wave-packets ionized by the linearly and circularly polarized attosecond pulses can be extracted from the interference structures of the direct and the near-forward rescattering electrons.

Two-dimensional photoelectron holography in strong-field tunneling ionization by counter rotating two-color circularly polarized laser pulses.

Strong-field photoelectron holography (SFPH), originating from the interference of the direct electron and the rescattering electron in tunneling ionization, is a significant tool for probing structure and electronic dynamics in molecules. We theoretically study SFPH by counter rotating two-color circularly (CRTC) polarized laser pulses. Different from the case of the linearly polarized laser field, where the holographic structure in the photoelectron momentum distribution (PEMD) is clustered around the laser polarization direction, in the CRTC laser fields, the tunneling ionized electrons could recollide with the parent ion from different angles and thus the photoelectron hologram appears in the whole plane of laser polarization. This property enables structural information delivered by the electrons scattering the molecule from different angles to be recorded in the two-dimensional photoelectron hologram. Moreover, the electrons tunneling at different laser cycles are streaked to different angles in the two-dimensional polarization plane. This property enables us to probe the sub-cycle electronic dynamics in molecules over a long time window with the multiple-cycle CRTC laser pulses.

Accurate measurement of laser intensity using photoelectron interference in strong-field tunneling ionization.

Accurate determination of laser intensity is of fundamental importance to study various phenomena in intense laser-atom/molecule interactions. We theoretically demonstrate a scheme to measure laser intensity by examining the holographic structure originating from the interference between the direct and near-forward rescattering electrons in strong-field tunneling ionization. By adding a weak second-harmonic field with polarization orthogonal to the strong fundamental driving field, the interference pattern oscillates with the changing relative phases of the two-color fields. Interestingly, the amplitude of this oscillation in the photoelectron momentum spectrum depends on the parallel momentum. With the quantum-orbit analysis, we show that the amplitude of the oscillation minimizes when the time difference between the recollision and ionization of near-forward rescattering electron is half cycle of the fundamental driving field. This enables us to measure accurately the laser intensity by seeking the minimum of the oscillation amplitude. Moreover, we show that this minimum can be determined without scanning the relative phases, instead, by just monitoring the interference patterns for two relative phases. This facilitates the application of our scheme in experiment.

Direct Visualization of Valence Electron Motion Using Strong-Field Photoelectron Holography.

Watching the valence electron move in molecules on its intrinsic timescale has been one of the central goals of attosecond science and it requires measurements with subatomic spatial and attosecond temporal resolutions. The time-resolved photoelectron holography in strong-field tunneling ionization holds the promise to access this realm. However, it remains to be a challenging task hitherto. Here we reveal how the information of valence electron motion is encoded in the hologram of the photoelectron momentum distribution (PEMD) and develop a novel approach of retrieval. As a demonstration, applying it to the PEMDs obtained by solving the time-dependent Schrödinger equation for the prototypical molecule H_{2}^{+}, the attosecond charge migration is directly visualized with picometer spatial and attosecond temporal resolutions. Our method represents a general approach for monitoring attosecond charge migration in more complex polyatomic and biological molecules, which is one of the central tasks in the newly emerging attosecond chemistry.

Determination of the Ionization Time Using Attosecond Photoelectron Interferometry.

Laser-induced electron tunneling ionization from atoms and molecules plays as the trigger for a broad class of interesting strong-field phenomena in attosecond community. Understanding the time of electron tunneling ionization is vital to achieving the ultimate accuracy in attosecond metrology. We propose a novel attosecond photoelectron interferometer, which is based on the interference of the direct and near-forward rescattering electron wave packets, to determine the time information characterizing the tunneling process. Adding a weak perturbation in orthogonal to the strong fundamental field, the phases of the direct and the near-forward rescattering electron wave packets are modified, leading to the shift of the interferogram in the photoelectron momentum distributions. By analyzing the response of the interferogram to the perturbation, the real part of the ionization time, which denotes the instant when the electron exits the potential barrier, and the associated rescattering time are precisely retrieved. Moreover, the imaginary part of the ionization time, which has been interpreted as a quantity related to electron motion under the potential barrier, is also unambiguously determined.

Effect of CaCN2 on the preparation of CaAlSiN3 :Eu2+ phosphors.

Highly efficient red-emitting phosphors, CaAlSiN3 :Eu2+ , were successfully prepared by the solid-state method using calcium cyanide (CaCN2 ) as the single calcium source. The influences of crystallization temperature, crystallization time, calcination mode and compounds ratio on the photoluminescent properties were investigated. The CaAlSiN3 :Eu2+ phosphors were obtained with 1 mol% CaCN2 by a two-step calcination procedure at 900°C for 2 h and subsequently at 1600°C for 8 h. The CaAlSiN3 :Eu2+ phosphors showed the strongest luminescent intensity at 660 nm when excited by 468 nm. With an increase in crystallization time, the maximum wavelength of the emission was shifted from 644 nm to 660 nm.

Antifouling membranes for sustainable water purification: strategies and mechanisms.

One of the greatest challenges to the sustainability of modern society is an inadequate supply of clean water. Due to its energy-saving and cost-effective features, membrane technology has become an indispensable platform technology for water purification, including seawater and brackish water desalination as well as municipal or industrial wastewater treatment. However, membrane fouling, which arises from the nonspecific interaction between membrane surface and foulants, significantly impedes the efficient application of membrane technology. Preparing antifouling membranes is a fundamental strategy to deal with pervasive fouling problems from a variety of foulants. In recent years, major advancements have been made in membrane preparation techniques and in elucidating the antifouling mechanisms of membrane processes, including ultrafiltration, nanofiltration, reverse osmosis and forward osmosis. This review will first introduce the major foulants and the principal mechanisms of membrane fouling, and then highlight the development, current status and future prospects of antifouling membranes, including antifouling strategies, preparation techniques and practical applications. In particular, the strategies and mechanisms for antifouling membranes, including passive fouling resistance and fouling release, active off-surface and on-surface strategies, will be proposed and discussed extensively.

Identifying backward-rescattering photoelectron hologram with orthogonal two-color laser fields.

Backscattering photoelectron hologram (BPH) originating from direct and backward-rescattering electrons encodes important structural information and ultrafast dynamics of the underlying processes. However, the BPH is usually overshadowed by other interference structures in the photoelectrons momentum spectra, preventing a direct extraction of information using BPH. Here we theoretically demonstrate disentanglement of the BPH from other types of interference with the orthogonal two-color field, where a weak orthogonal component is used to streak the BPH. By carefully adjusting the relative phase of the two-color field, the BPH is effectively separated from other interferences in the photoelectron momentum spectra and thus the BPH is unambiguously identified. This takes a significant step to time-resolved imaging of the attosecond dynamics with strong-field photoelectron holography.

Axial Mn-CCN Bonds of Cyano Manganese(II) Porphyrin Complexes: Flexible and Weak?

Three five-coordinate high-spin (cyano)manganese(II) complexes, utilized tetraphenylporphyrin (TPP), tetratolylporphyrin (TTP), and tetramesitylporphyrin (TMP) as ligands, are prepared and studied by single-crystal X-ray, FT-IR, UV-vis, and EPR spectroscopies. The crystal structure studies revealed noteworthy structural features including unexpectedly wide tilting angles of the axial Mn-CCN bonds, which is contrasted to the isoelectronic Fe(III)-CCN bonds. Solid-state EPR measurements (90 K) and simulations are applied to obtain the ZFS parameters (D, E, and E/D (λ)), which are compared to Mn(II) porphyrin analogues of hemes to understand the ligand field of the cyanide. The solution EPR studies gave new insights into the chemical equilibrium of four- and five-coordinate species, which has been monitored by UV-vis spectroscopy.

Unique Axial Imidazole Geometries of Fully Halogenated Iron(II) Porphyrin Complexes: Crystal Structures and Mössbauer Spectroscopic Studies.

The synthesis and characterization of several electron-poor iron(II) porphyrin (FeTFPPBr8) complexes with axial imidazole ligands are reported. The single-crystal X-ray structures have been studied by a combination of crystal packing and Hirshfeld surface calculations, which explained the unusual axial-ligand geometries, e.g., the strong tilt of the Fe-NIm bonds and the imidazole planes. The six-coordinate [Fe(TFPPBr8)(1-MeIm)2] was studied by multiple-temperature solid-state Mössbauer spectroscopy, which suggested that it is a low-spin complex with δ ∼ 0.32-0.38 mm/s and ΔEQ ∼ 1.0 mm/s.

Nonadiabatic tunnel ionization in strong circularly polarized laser fields: counterintuitive angular shifts in the photoelectron momentum distribution.

We perform time-dependent calculation of strong-field ionization of neon, initially prepared in 2p(-1) and 2p(+1) states, with intense near-circularly polarized laser pulses. By solving the three-dimensional time-dependent Schrödinger equation, we find clear different offset angles of the maximum in the photoelectron momentum distribution in the polarization plane of the laser pulses for the two states. We provide clear interpretation that this different angular offset is linked to the sign of the magnetic quantum number, thus it can be used to map out the orbital angular momentum of the initial state. Our results provide a potential tool for studying orbital symmetry in atomic and molecular systems.

The Intermediate Connection of Subcells in Si-based Tandem Solar Cells.

Tandem solar cells are rationally designed and fabricated by stacking multiple subcells to achieve power conversion efficiency well above the Shockley-Queisser (SQ) limit. There is a large selection pool for the subcell candidates, such as Si, III-V, Kesterite, Perovskite, and organic solar cells. A series of different combinations of these subcells have been successfully demonstrated in practical tandem solar cell devices. However, there has not been a systematic summary of how to connect subcells in a tandem solar cell using a practical, cost-effective, and efficiency-beneficial fashion. In this work, the connection manners of subcells within a tandem cell are classified into three main categories, performing sequential growth, using the physical connection, and applying an intermediate layer, focusing on systematical description of intermediate layers using different materials. The advantages and disadvantages of these connection methods and their applicability to tandem cell types are further elaborated using two typical example models, III-V/Si and Perovskite inclusive tandem cell devices. Eventually, this work can provide useful guidance on how to carry out a suitable intermediate connection in the design of tandem solar cells depending on the selected subcells and device structure.

Study on the change of global ecological distribution of Nicotiana tabacum L. based on MaxEnt model.

Nicotiana tabacum L. (tobacco) has extremely high economic value, medicinal value, scientific research value and some other uses. Though it has been widely cultivated throughout the world, classification and change of its suitable habitats is not that clear, especially in the context of global warming. In order to achieve rational cultivation and sustainable development of tobacco, current (average from 1970-2000) and future (2070, average from 2061-2080) potential suitable habitats of Nicotiana tabacum L. were forecasted with MaxEnt model and ArcGIS platform based on 854 occurrence data and 22 environmental factors in this study. The results revealed that mean temperature of warmest quarter (bio10), annual precipitation (bio12), solar radiation in September (Srad9), and clay content (CLAY) were the four decisive environment variables for the distribution of Nicotiana tabacum L. Under current climate conditions, suitable habitats of Nicotiana tabacum L. were mainly distributed in south-central Europe, south-central North America, most parts of South America, central Africa, south and southeast Asia, and southeast coast of Australia, and only 13.7% of these areas were highly suitable. By the year 2070, suitable habitats under SSP1-2.6, SSP3-7.0, and SSP5-8.5 climate scenarios would all increase with the largest increase found under SSP3-7.0 scenario, while suitable habitats would reduce under SSP2-4.5 climate scenario. Globally, the center of mass of suitable habitats would migrate to southeast to varying degrees within Libya under four different climate scenarios. The emergence of new habitats and the disappearance of old habitats would all occur simultaneously under each climate scenario, and the specific changes in each area, combined with the prediction results under current climate conditions, will provide an important reference for the adjustment of agronomic practices and rational cultivation of Nicotiana tabacum L. both currently and in the future.