bluuebunny/crossref_metadata_2025_split huggingface dataset:
Psychometric Performance of a Substance Use Symptom Checklist to Help Clinicians Assess Substance Use Disorder in Primary Care
Authors: Matson Theresa E. , Hallgren Kevin A. , Lapham Gwen T. , Oliver Malia , Wang Xiaoming , Williams Emily C. , Bradley Katharine A. 
Published: May 2023

ImportanceSubstance use disorders (SUDs) are underrecognized in primary care, where structured clinical interviews are often infeasible. A brief, standardized substance use symptom checklist could help clinicians assess SUD.ObjectiveTo evaluate the psychometric properties of the Substance Use Symptom Checklist (hereafter symptom checklist) used in primary care among patients reporting daily cannabis use and/or other drug use as part of population-based screening and assessment.Design, Setting, and ParticipantsThis cross-sectional study was conducted among adult primary care patients who completed the symptom checklist during routine care between March 1, 2015, and March 1, 2020, at an integrated health care system. Data analysis was conducted from June 1, 2021, to May 1, 2022.Main Outcomes and MeasuresThe symptom checklist included 11 items corresponding to SUD criteria in the Diagnostic and Statistical Manual for Mental Disorders (Fifth Edition) (DSM-5). Item response theory (IRT) analyses tested whether the symptom checklist was unidimensional and reflected a continuum of SUD severity and evaluated item characteristics (discrimination and severity). Differential item functioning analyses examined whether the symptom checklist performed similarly across age, sex, race, and ethnicity. Analyses were stratified by cannabis and/or other drug use.ResultsA total of 23 304 screens were included (mean [SD] age, 38.2 [5.6] years; 12 554 [53.9%] male patients; 17 439 [78.8%] White patients; 20 393 [87.5%] non-Hispanic patients). Overall, 16 140 patients reported daily cannabis use only, 4791 patients reported other drug use only, and 2373 patients reported both daily cannabis and other drug use. Among patients with daily cannabis use only, other drug use only, or both daily cannabis and other drug use, 4242 (26.3%), 1446 (30.2%), and 1229 (51.8%), respectively, endorsed 2 or more items on the symptom checklist, consistent with DSM-5 SUD. For all cannabis and drug subsamples, IRT models supported the unidimensionality of the symptom checklist, and all items discriminated between higher and lower levels of SUD severity. Differential item functioning was observed for some items across sociodemographic subgroups but did not result in meaningful change (&amp;lt;1 point difference) in the overall score (0-11).Conclusions and RelevanceIn this cross-sectional study, a symptom checklist, administered to primary care patients who reported daily cannabis and/or other drug use during routine screening, discriminated SUD severity as expected and performed well across subgroups. Findings support the clinical utility of the symptom checklist for standardized and more complete SUD symptom assessment to help clinicians make diagnostic and treatment decisions in primary care.
Coupling Uniform Pore Size And Multi‑Chemisorption Sites: Hierarchically Ordered Porous Carbon For Ultra‐Fast And Large Zinc Ion Storage
Authors: Peng Zhongyou , Bannov Alexander G. , Li Shulong , Huang Yuting , Tang Ling , Tan Licheng , Chen Yiwang 
Published: May 2023

AbstractConstructing hierarchically ordered macro/meso−microporous structures of carbonaceous cathode with matchable pore size and adequate active sites is significant toward large Zn2+ storage, but remains a formidable challenge. Herein, a new perspective is reported for synthesizing phosphorus and nitrogen dual‐doped hierarchical ordered porous carbon (PN‐HOPC) by eliminating the micropore confinement effect and synchronously introducing multi‐chemisorption sites. The interconnected macropore can effectively facilitate long‐distance mass transfer, and meso−microporous wall can promote accessibility of active sites. Density functional theory (DFT) calculations identify that the P and N co‐doping markedly contributes to the reversible adsorption/desorption of zinc ions and protons. Consequently, the optimized PN‐HOPC exhibits outstanding Zn2+ storage capabilities in terms of high capacity (211.9 mAh g−1), superb energy density (169.5 Wh kg−1), and ultralong lifespan (99.3% retention after 60 000 cycles). Systematic ex situ measurements integrating with in situ Raman spectroscopy and electrochemical quartz crystal microbalance (EQCM) techniques elucidate that the superior electrochemical capability is ascribed to the synergistic effect of the Zn2+, H+, and SO42− co‐adsorption mechanism, as well as invertible chemical adsorption. This study not only provides new insights to design advanced carbon materials toward practical applications but also sheds lights on a deeper understanding of charge storage mechanism for zinc‐ion capacitors (ZICs).
Untangling the Fundamental Electronic Origins of Non‐Local Electron–Phonon Coupling in Organic Semiconductors
Authors: Banks Peter A. , D'Avino Gabriele , Schweicher Guillaume , Armstrong Jeff , Ruzié Christian , Chung Jong Won , Park Jeong‐Il , Sawabe Chizuru , Okamoto Toshihiro , Takeya Jun , Sirringhaus Henning , Ruggiero Michael T. 
Published: May 2023

AbstractOrganic semiconductors with distinct molecular properties and large carrier mobilities are constantly developed in attempt to produce highly‐efficient electronic materials. Recently, designer molecules with unique structural modifications have been expressly developed to suppress molecular motions in the solid state that arise from low‐energy phonon modes, which uniquely limit carrier mobilities through electron–phonon coupling. However, such low‐frequency vibrational dynamics often involve complex molecular dynamics, making comprehension of the underlying electronic origins of electron–phonon coupling difficult. In this study, first a mode‐resolved picture of electron–phonon coupling in a series of materials that are specifically designed to suppress detrimental vibrational effects, is generated. From this foundation, a method is developed based on the crystalline orbital Hamiltonian population (COHP) analyses to resolve the origins—down to the single atomic‐orbital scale—of surprisingly large electron–phonon coupling constants of particular vibrations, explicitly detailing the manner in which the intermolecular wavefunction overlap is perturbed. Overall, this approach provides a comprehensive explanation into the unexpected effects of less‐commonly studied molecular vibrations, revealing new aspects of molecular design that should be considered for creating improved organic semiconducting materials.
DNA‐Templated Ag@Pd Nanoclusters for NIR‐II Photoacoustic Imaging‐Guided Photothermal‐Augmented Nanocatalytic Therapy
Authors: Zhang Ying , Li Yan , Li Jinyan , Mu Fei , Wang Jing , Shen Chuang , Wang Hao , Huang Feng , Chen Bo , Luo Zhimin , Wang Lianhui 
Published: May 2023

AbstractDeveloping multifunctional nanozymes with photothermal‐augmented enzyme‐like reaction dynamics in the second near‐infrared (NIR‐II) biowindow is of significance for nanocatalytic therapy (NCT). Herein, DNA‐templated Ag@Pd alloy nanoclusters (DNA‐Ag@Pd NCs) are prepared as a kind of novel noble‐metal alloy nanozymes by using cytosine‐rich hairpin‐shaped DNA structures as growth templates. DNA‐Ag@Pd NCs exhibit high photothermal conversion efficiency (59.32%) under 1270 nm laser and photothermally augmented peroxidase‐mimicking activity with synergetic enhancement between Ag and Pd. In addition, hairpin‐shaped DNA structures on the surface of DNA‐Ag@Pd NCs endow them with good stability and biocompatibility in vitro and in vivo, and enhanced permeability and retention effect at tumor sites. Upon intravenous injection, DNA‐Ag@Pd NCs demonstrate high‐contrast NIR‐II photoacoustic imaging‐guided efficient photothermal‐augmented NCT of gastric cancer. This work provides a strategy to synthesize versatile noble‐metal alloy nanozymes in a bioinspired way for highly efficient therapy of tumors.
Type I Photosensitization with Strong Hydroxyl Radical Generation in NIR Dye Boosted by Vigorous Intramolecular Motions for Synergistic Therapy
Authors: Lin Runfeng , Liu Junkai , Xu Weilin , Liu Zicheng , He Xiang , Zheng Canze , Kang Miaomiao , Li Xue , Zhang Zhijun , Feng Hai‐Tao , Lam Jacky W. Y. , Wang Dong , Chen Ming , Tang Ben Zhong 
Published: May 2023

AbstractDevelopment of type I photosensitizers (PSs) with strong hydroxyl radical (·OH) formation is particularly important in the anaerobic tumor treatment. On the other hand, it is challenging to obtain an efficient solid‐state intramolecular motion to promote the development of molecular machine and molecular motor. However, the relationship between them is never revealed. In this work, a pyrazine‐based near‐infrared type I PS with remarkable donor–acceptor effect is developed. Notably, the intramolecular motions are almost maximized by the combination of intramolecular and intermolecular engineering to simultaneously introduce the unlimited bond stretching vibration and boost the group rotation. The photothermal conversion caused by the intramolecular motions is realized with efficiency as high as 86.8%. The D–A conformation of PS can also induce a very small singlet‐triplet splitting of 0.07 eV, which is crucial to promote the intersystem crossing for the triplet sensitization. Interestingly, its photosensitization is closely related to the intramolecular motions, and a vigorous motion may give rise to a strong ·OH generation. In view of its excellent photosensitization and photothermal behavior, the biocompatible PS exhibits a superior imaging‐guided cancer synergistic therapy. This work stimulates the development of advanced PS for the biomedical application and solid‐state intramolecular motions.
In Situ Exfoliation Method of Large‐Area 2D Materials
Authors: Grubišić‐Čabo Antonija , Michiardi Matteo , Sanders Charlotte E. , Bianchi Marco , Curcio Davide , Phuyal Dibya , Berntsen Magnus H. , Guo Qinda , Dendzik Maciej 
Published: May 2023

Abstract2D materials provide a rich platform to study novel physical phenomena arising from quantum confinement of charge carriers. Many of these phenomena are discovered by surface sensitive techniques, such as photoemission spectroscopy, that work in ultra‐high vacuum (UHV). Success in experimental studies of 2D materials, however, inherently relies on producing adsorbate‐free, large‐area, high‐quality samples. The method that yields 2D materials of highest quality is mechanical exfoliation from bulk‐grown samples. However, as this technique is traditionally performed in a dedicated environment, the transfer of samples into vacuum requires surface cleaning that might diminish the quality of the samples. In this article, a simple method for in situ exfoliation directly in UHV is reported, which yields large‐area, single‐layered films. Multiple metallic and semiconducting transition metal dichalcogenides are exfoliated in situ onto Au, Ag, and Ge. The exfoliated flakes are found to be of sub‐millimeter size with excellent crystallinity and purity, as supported by angle‐resolved photoemission spectroscopy, atomic force microscopy, and low‐energy electron diffraction. The approach is well‐suited for air‐sensitive 2D materials, enabling the study of a new suite of electronic properties. In addition, the exfoliation of surface alloys and the possibility of controlling the substrate‐2D material twist angle is demonstrated.
High‐Performing All‐Solid‐State Sodium‐Ion Batteries Enabled by the Presodiation of Hard Carbon
Authors: Oh Jin An Sam , Deysher Grayson , Ridley Phillip , Chen Yu‐Ting , Cheng Diyi , Cronk Ashley , Ham So‐Yeon , Tan Darren H.S. , Jang Jihyun , Nguyen Long Hoang Bao , Meng Ying Shirley 
Published: May 2023

AbstractAll‐solid‐state sodium ion batteries (AS3iBs) are highly sought after for stationary energy storage systems due to their suitable safety and stability over a wide temperature range. Hard carbon (HC), which is low cost, exhibits a low redox potential, and a high capacity, is integral to achieve a practical large‐scale sodium‐ion battery. However, the energy density of the battery utilizing this anode material is hampered by its low initial Coulombic efficiency (ICE). Herein, two strategies, namely i) additional pyrolysis and ii) presodiation by thermal decomposition of NaBH4, are explored to improve the ICE of pristine HC. Raman spectroscopy, X‐ray photoelectron spectroscopy, and electrochemical characterizations elucidate that the thermal treatment increases the Csp2 content in the HC structure, while the presodiation supplies the sodium to occupy the intrinsic irreversible sites. Consequently, presodiated HC exhibits an outstanding ICE (>99%) compared to the thermally treated (90%) or pristine HC (83%) in half‐cell configurations. More importantly, AS3iB using presodiated HC and NaCrO2 as the anode and cathode, respectively, exhibits a high ICE of 92% and an initial discharge energy density of .
The Operation Dependence of C − N Fatigue for Lithium‐Ion Batteries
Authors: Chen Chunguang , Zou Qingrong , Wen Jici , Liu Jin , Notten Peter H. L. , Wei Yujie 
Published: May 2023

AbstractLithium‐ion batteries (LIBs) fatigue in repeated service, and their cycle‐life, in resemblance to most materials subject to cyclic loading, scatters over a broad range. The dependence of critical fatigue parameters on ambient temperature and charging or discharging rate, along with the scattering nature of cycle‐life is of practical significance. Through large‐scale experimental investigations, it is shown how both temperatures and charging‐discharging rates may influence critical parameters in the C − N fatigue dependence for LIBs. The cycle‐life N of a battery subject to an average charging rate C follows C = c0 (T)Nb(D), where c0 varies with temperature T and b is a function of the discharging rate D. It is further shown that the cycle‐life of LIBs follows a lognormal distribution. The revealed cycle‐life distribution of LIBs and their fatigue law enable the construction of a probabilistic C − N model, which can be used to quantify the fatigue failure probability in LIBs. Results reported here are of compelling importance for the life‐span evaluation and safety design of large‐scale battery packing in electric vehicles and energy storage where tens of hundreds of batteries working in concert is desired.
Resonance Interaction Energy in κ‐Minkowski Spacetime
Authors: Xu Jinyu , Hu Jiawei , Yu Hongwei 
Published: May 2023

AbstractIf gravity is quantized, one of the consequences may be that the spacetime coordinates are quantized and become noncommutative. The κ‐Minkowski spacetime is such kind of noncommutative spacetime. In this paper, the resonance interaction energy of a two‐atom system coupled with a fluctuating vacuum scalar field in the κ‐Minkowski spacetime is studied. It is found that the resonance interaction energy is dependent on the interatomic separation, the transition wavelength of the atoms, and the spacetime non‐commutativity. When the interatomic separation is small compared with a characteristic length determined by the spacetime non‐commutativity parameter and the transition wavelength, the resonance interaction energy is that in the Minkowski spacetime plus a correction due to the spacetime non‐commutativity. When the interatomic separation is comparable to or larger than the characteristic length, the resonance interaction energy cannot be organized in the form of a Minkowski term plus a correction, which indicates that the long‐range behavior of the vacuum in the κ‐Minkowski spacetime is fundamentally different from that in the Minkowski spacetime.
Self‐Immolative Amphiphilic Poly(ferrocenes) for Synergistic Amplification of Oxidative Stress in Tumor Therapy
Authors: Xu Jie , Tan Jiajia , Song Chengzhou , Zhang Guoying , Hu Xianglong , Liu Shiyong 
Published: May 2023

AbstractAmphiphilic self‐immolative polymers (SIPs) can achieve complete degradation solely through one triggerable event, which potentially optimize the blood clearance and uncontrollable/inert degradability for therapeutic nanoparticles. Herein, we report self‐immolative amphiphilic poly(ferrocenes), BPnbs‐Fc, composed by self‐immolative backbone and aminoferrocene (AFc) side chains as well as end‐capping poly(ethylene glycol) monomethyl ether. Upon triggering by tumor acidic milieu, the BPnbs‐Fc nanoparticles readily degrade to release azaquinone methide (AQM) moieties, which can rapidly deplete intracellular glutathione (GSH) to cascade release AFc. Furthermore, both AFc and its product Fe2+ can catalyze intracellular hydrogen peroxide (H2O2) into highly reactive hydroxyl radicals (⋅OH), thus amplifying the oxidative stress of tumor cells. Rational synergy of GSH depletion and ⋅OH burst can efficiently inhibit tumor growth by the SIPs in vitro and in vivo. This work provides an elegant design to adopt innate tumor milieu‐triggerable SIPs degradation to boost cellular oxidative stress, which is a promising candidate for precision medicine.
High‐Performance Organic Solar Cells Containing Pyrido[2,3‐b]quinoxaline‐Core‐Based Small‐Molecule Acceptors with Optimized Orbit Overlap Lengths and Molecular Packing
Authors: Xu Tongle , Luo Zhenghui , Ma Ruijie , Chen Zhanxiang , Dela Peña Top Archie , Liu Heng , Wei Qi , Li Mingjie , Zhang Cai'e , Wu Jiaying , Lu Xinhui , Li Gang , Yang Chuluo 
Published: May 2023

AbstractThe central core in A‐DA1D‐A‐type small‐molecule acceptor (SMAs) plays an important role in determining the efficiency of organic solar cells (OSCs), while the principles governing the efficient design of SMAs remain elusive. Herein, we developed a series of SMAs with pyrido[2,3‐b]quinoxaline (PyQx) as new electron‐deficient unit by combining with the cascade‐chlorination strategy, namely Py1, Py2, Py3, Py4 and Py5. The introduction of chlorine atoms reduces the intramolecular charge transfer effects but elevates the LUMO values. Density functional theory (DFT) reveals that Py2 with ortho chlorine substituted PyQx and Py5 with two chlorine atoms yield larger dipole moments and smaller π⋅⋅⋅π stacking distances, as compared with the other three acceptors. Moreover, Py2 shows the strongest light absorption capability induced by extended orbit overlap lengths and more efficient packing structures in the dimers. These features endow the best device performance of Py2 due to the better molecular packing and aggregation behaviors, more suitable domain sizes with better exciton dissociation and charge recombination. This study highlights the significance of incorporating large dipole moments, small π⋅⋅⋅π stacking distances and extended orbit overlap lengths in dimers into the development of high‐performance SMAs, providing insight into the design of efficient A‐DA1D‐A‐type SMAs for OSCs.
Bio‐Templated Chiral Zeolitic Imidazolate Framework for Enantioselective Chemoresistive Sensing
Authors: Kim Minkyu , Han Moon Jong , Lee Hansol , Flouda Paraskevi , Bukharina Daria , Pierce Kellina J. , Adstedt Katarina M. , Buxton Madeline L. , Yoon Young Hee , Heller William T. , Singamaneni Srikanth , Tsukruk Vladimir V. 
Published: May 2023

AbstractChiral metal–organic frameworks (MOFs) have gained rising attention as ordered nanoporous materials for enantiomer separations, chiral catalysis, and sensing. Among those, chiral MOFs are generally obtained through complex synthetic routes by using a limited choice of reactive chiral organic precursors as the primary linkers or auxiliary ligands. Here, we report a template‐controlled synthesis of chiral MOFs from achiral precursors grown on chiral nematic cellulose‐derived nanostructured bio‐templates. We demonstrate that chiral MOFs, specifically, zeolitic imidazolate framework (ZIF), unc‐[Zn(2‐MeIm)2, 2‐MeIm=2‐methylimidazole], can be grown from regular precursors within nanoporous organized chiral nematic nanocelluloses via directed assembly on twisted bundles of cellulose nanocrystals. The template‐grown chiral ZIF possesses tetragonal crystal structure with chiral space group of P41, which is different from traditional cubic crystal structure of I‐43 m for freely grown conventional ZIF‐8. The uniaxially compressed dimensions of the unit cell of templated ZIF and crystalline dimensions are signatures of this structure. We observe that the templated chiral ZIF can facilitate the enantiotropic sensing. It shows enantioselective recognition and chiral sensing abilities with a low limit of detection of 39 μM and the corresponding limit of chiral detection of 300 μM for representative chiral amino acid, D‐ and L‐ alanine.
Improving water resistance property of starch straw by synergistic effects of chemical crosslinking, physical barrier, and surface modifications
Authors: Yang Mao , Fu Jun , Alee Mahafooj , Duan Qingfei , Xie Huifang , Ali Amjad , Liu Hongsheng , Chen Ling , Yu Long 
Published: May 2023

AbstractStarch straws are developed by focusing on improving the critical weakness of all starch‐based materials: moisture sensitivity. Various technologies including blending (with hydrogel carrageen), chemical crosslinking (using citric and boric acids, and furfural), physical barrier (using talc), and surface modifications (by adding stearic acid, or hot oxalic acids) are evaluated, and then synergized in this study. The materials and products are characterized by Fourier transform infrared spectroscopy, contact angle, mechanical properties, water solubility and water absorption. All the trends of individual modification are similar to previous work but it was found that the influence of some modifications on the extruded straws was significantly different from that of the casting films reported previously since extrusion with high shear stress can destroy chemical and physical crosslinking or network formed. It was found that there was a maximum acid content to improve the water sensitivity since the excessive amount of acid could degrade starch and have more damage to the crosslinking during extrusion, resulting in decreasing mechanical properties and increasing solubility. On the other hand, some synergic functions, like crosslinked by additional citric acid and surface treatment by hot oxalic acid, were observed. The promising starch straws are developed based on synergic methodologies, in which typical samples were prepared by crosslinking using citric (1 w%), boric (2 w%), talc (3 w%), and stearic acids (1 w%) and treated with hot oxalic acids for 2 s. The optimized straw can be smoothly processed, reduced water absorption significantly (55.3%), and mechanical properties (modulus) increased about 54% compared with neat starch one after being immersed in water at room temperature (25°C) for 20 min. This synergic strategy provides a useful guideline for developing starch‐based materials with low moisture sensitivity.
On the regional control problem of the bilinear wave equation
Authors: Ait Aadi Abderrahman , Zerrik El Hassan , Ouhafsa Mohamed 
Published: May 2023

AbstractThe present research deals with regional optimal control problem of the bilinear wave equation evolving on a spatial domain
. Such an equation is excited by bounded controls that act on the velocity term. It addresses the tracking of a desired state all over the time interval
only on a subregion
of
with minimum energy. Then, we prove that an optimal control exists and is characterized as a solution to an optimality system. Algorithm for the computation of such a control is given and successfully illustrated through simulations.