bluuebunny/crossref_metadata_2025_split huggingface dataset:
Excited‐State THz Vibrations in Aggregates of PtII Complexes Contribute to the Enhancement of Near‐Infrared Emission Efficiencies**
Authors: Wei Yu‐Chen , Chen Bo‐Han , Ye Ren‐Siang , Huang Hsing‐Wei , Su Jia‐Xuan , Lin Chao‐Yang , Hodgkiss Justin , Hsu Lian‐Yan , Chi Yun , Chen Kai , Lu Chih‐Hsuan , Yang Shang‐Da , Chou Pi‐Tai 
Published: February 2023

AbstractThe exploration of deactivation mechanisms for near‐infrared(NIR)‐emissive organic molecules has been a key issue in chemistry, materials science and molecular biology. In this study, based on transient absorption spectroscopy and transient grating photoluminescence spectroscopy, we demonstrate that the aggregated PtII complex 4H (efficient NIR emitter) exhibits collective out‐of‐plane motions with a frequency of 32 cm−1 (0.96 THz) in the excited states. Importantly, similar THz characteristics were also observed in analogous PtII complexes with prominent NIR emission efficiency. The conservation of THz motions enables excited‐state deactivation to proceed along low‐frequency vibrational coordinates, contributing to the suppression of nonradiative decay and remarkable NIR emission. These novel results highlight the significance of excited‐state vibrations in nonradiative processes, which serve as a benchmark for improving device performance.
Using Biological Photophysics to Map the Excited‐State Topology of Molecular Photosensitizers for Photodynamic Therapy
Authors: Chettri Avinash , Yang Tingxiang , Cole Houston D. , Shi Ge , Cameron Colin G. , McFarland Sherri A. , Dietzek‐Ivanšić Benjamin 
Published: February 2023

AbstractThis study employs TLD1433, a RuII‐based photodynamic therapy (PDT) agent in human clinical trials, as a benchmark to establish protocols for studying the excited‐state dynamics of photosensitizers (PSs) in cellulo, in the local environment provided by human cancer cells. Very little is known about the excited‐state properties of any PS in live cells, and for TLD1433, it is terra incognita. This contribution targets a general problem in phototherapy, which is how to interrogate the light‐triggered, function‐determining processes of the PSs in the relevant biological environment, and establishes methodological advances to study the ultrafast photoinduced processes for TLD1433 when taken up by MCF7 cells. We generalize the methodological developments and results in terms of molecular physics by applying them to TLD1433’s analogue TLD1633, making this study a benchmark to investigate the excited‐state dynamics of phototoxic compounds in the complex biological environment.
Isolated Tin(IV) Active Sites for Highly Efficient Electroreduction of CO2 to CH4 in Neutral Aqueous Solution
Authors: Zhao Zhen‐Hua , Huang Jia‐Run , Liao Pei‐Qin , Chen Xiao‐Ming 
Published: February 2023

AbstractThe development of efficient electrocatalysts with non‐copper metal sites for electrochemical CO2 reduction reactions (eCO2RR) to hydrocarbons and oxygenates is highly desirable, but still a great challenge. Herein, a stable metal–organic framework (DMA)4[Sn2(THO)2] (Sn‐THO, THO6− = triphenylene‐2,3,6,7,10,11‐hexakis(olate), DMA = dimethylammonium) with isolated and distorted octahedral SnO62− active sites is reported as an electrocatalyst for eCO2RR, showing an exceptional performance for eCO2RR to the CH4 product rather than the common products formate and CO for reported Sn‐based catalysts. The partial current density of CH4 reaches a high value of 34.5 mA cm−2, surpassing most reported copper‐based and all non‐Cu metal‐based catalysts. Our experimental and theoretical results revealed that the isolated SnO62− active site favors the formation of key *OCOH species to produce CH4 and can greatly inhibit the formation of *OCHO and *COOH species to produce *HCOOH and *CO, respectively.
Efficient Circularly Polarized Electroluminescence from Achiral Luminescent Materials**
Authors: Xu Letian , Liu Hao , Peng Xiaoluo , Shen Pingchuan , Tang Ben Zhong , Zhao Zujin 
Published: February 2023

AbstractCircularly polarized electroluminescence (CP‐EL) is generally produced in organic light‐emitting diodes (OLEDs) based on special CP luminescent (CPL) materials, while common achiral luminescent materials are rarely considered to be capable of direct producing CP‐EL. Herein, near ultraviolet CPL materials with high photoluminescence quantum yields and good CPL dissymmetry factors are developed, which can induce blue to red CPL for various achiral luminescent materials. Strong near ultraviolet CP‐EL with the best external quantum efficiencies (ηexts) of 9.0 % and small efficiency roll‐offs are achieved by using them as emitters for CP‐OLEDs. By adopting them as hosts or sensitizers, commercially available yellow‐orange achiral phosphorescence, thermally activated delayed fluorescence (TADF) and multi‐resonance (MR) TADF materials can generate intense CP‐EL, with high dissymmetry factors and outstandingηexts (30.8 %), demonstrating a simple and universal avenue towards efficient CP‐EL.
Advances in surface modification and functionalization for tailoring the characteristics of thin films and membranes via chemical vapor deposition techniques
Authors: Mostafavi Amir Hossein , Mishra Ajay Kumar , Gallucci Fausto , Kim Jong Hak , Ulbricht Mathias , Coclite Anna Maria , Hosseini Seyed Saeid 
Published: February 2023

AbstractAdvanced materials are among the prime drivers for technological revolutions and transformation in quality of lives. Over time, several modification techniques have emerged enabling development of novel materials with extraordinary features. The present review aims to introduce various promising chemical and physical surface modification techniques instrumental for tailoring the characteristics of thin films and membranes. Meticulous discussions are provided over chemical vapor deposition (CVD) techniques evolved for addressing the demands for materials with desired functionalities. Also, essential criteria for the selection of substrates, modifying and precursor materials for an effective CVD modification are elaborated. Investigations are extended to unraveling the role of various process parameters on the quality and properties of deposition. Special attention is paid to the significance and performance of CVD‐based membranes and thin films for industrial applications ranging from desalination and water treatment to energy and environment, biomedical and life science as well as packaging. The goal has been to establish a scientific platform for a timely tracking of the prevailing trends in exploitation of CVD techniques and highlighting the unexplored opportunities. This also helps in identification of the scientific and technical gaps and setting directions for further progress in the fields of thin films and membranes.
Optimizing electromagnetic interference shielding ofcarbon nanofibersreinforced nylon 6, 6 nanocomposite films in terahertz range
Authors: Arooj Nooria , Mumtaz Muhammad , Rehman Abdur , Ahmad Izhar , Khan Sabih , Shah Attaullah , ul Hassan Mahmood , Raffi Muhammad 
Published: February 2023

AbstractThe widespread development and usage of electrical and electronic devices in THz frequency band has instigated great concerns regarding the anticipated functioning of devices. The world is in dire need to develop tunable shielding materials which are not only field functional but could also provide shielding against undesired electromagnetic signals by absorption as the primary mechanism. In this work, nylon 6,6 based hybrid nanocomposite films loaded with 0–50 wt% CNFs have been prepared on the cellulosic substrates by air spray coating technique. XRD and FESEM results have established formation of crystalline films having homogeneously distributed CNFs in the polymer matrix leading to formation of an efficient conductive network. IV measurements demonstrate a significant rise in the dc conductivity in the polymer nanocomposite samples with the gradual increase of CNF content in comparison to the pristine sample. Interestingly, sample containing 50 wt% CNFs has shown dc conductivity value of 0.03 Scm−1while shielding effectiveness (SE) of 44 dB obtained through THz‐TDS. The results hold a distinctive position in these samples which have outperformed at a very low thickness of ~570 μm as compared to the results obtained by many other novel polymer composites and present themselves a light weight field functional high THz absorption materials.
Investigating CNS distribution of PF‐05212377, a P‐glycoprotein substrate, by translation of 5‐HT6 receptor occupancy from non‐human primates to humans
Authors: Sawant‐Basak Aarti , Chen Laigao , Lockwood Peter , Boyden Tracey , Doran Angela C. , Mancuso Jessica , Zasadny Kenneth , McCarthy Timothy , Morris Evan D. , Carson Richard E. , Esterlis Irina , Huang Yiyun , Nabulsi Nabeel , Planeta Beata , Fullerton Terence 
Published: February 2023

AbstractPF‐05212377 (SAM760) is a potent and selective 5‐HT6 antagonist, previously under development for the treatment of Alzheimer’s disease. In vitro, PF‐05212377 was determined to be a P‐gp/non‐BCRP human transporter substrate. Species differences were observed in the in vivo brain penetration of PF‐05212377 with a ratio of the unbound concentration in brain/unbound concentration in plasma (Cbu/Cpu) of 0.05 in rat and 0.64 in non‐human primates (NHP). Based on pre‐clinical evidence, brain penetration and target engagement of PF‐05212377 was confirmed in NHP using positron emission tomography (PET) measured 5‐HT6 receptor occupancy (%RO). The NHP Cpu EC50 of PF‐05212377 was 0.31 nM (consistent with the in vitro human 5HT6 Ki: 0.32 nM). P‐gp has been reported to be expressed in higher abundance at the rat BBB and in similar abundance at the BBB of non‐human primates and human; brain penetration of PF‐05212377 in humans was postulated to be similar to that in non‐human primates. In humans, PF‐05212377 demonstrated dose and concentration dependent increases in 5‐HT6 RO; maximal 5‐HT6 RO of ∼80% was measured in humans at doses of ≥15 mg with an estimated unbound plasma EC50 of 0.37 nM (which was similar to the in vitro human 5HT6 binding Ki 0.32 nM). In conclusion, cumulative evidence from NHP and human PET RO assessments confirmed that NHP is more appropriate than the rat for the prediction of human brain penetration of PF‐05212377, a P‐gp/non‐BCRP substrate.Clinical trial number: NCT01258751.
The predictive value of lymphocyte to monocyte ratio for overall survival in cholangiocarcinoma patients with hepatic resection
Authors: Lv Minghe , Wang Kun , Zhang Zhiyuan , Zhang Zhen , Wan Juefeng 
Published: February 2023

AbstractBackgroundThere is considerable heterogeneity in clinical behavior and survival outcomes in patients with cholangiocarcinoma (CCA), and the prognosis of CCA patients is poor. We proposed lymphocyte to monocyte ratio (LMR) as a novel prognostic element for CCA patients with hepatic resection in present study.MethodsBy retrospectively analyzing the clinical data of 145 CCA patients with hepatic resection, we determined the optimal LMR cutoff value according to the receiver operating characteristic (ROC). We comparatively analyzed the clinical features of CAA patients between low LMR group and high LMR group, mainly including overall survival (OS) analysis by using the Kaplan‐Meier method, univariate and multivariate Cox regression.ResultsWe found there was a longer OS in CCA patients of the high LMR group than the low LMR group. The total median OS of cholangiocarcinoma patients were 13.6 months, and the OS of low LMR group was markedly lower than the high LMR group. The 1‐year, 3‐year, and 5‐year OS of high LMR group were respectively 62.9%, 32.4%, and 16.4%, and were significantly higher the cholangiocarcinoma patients of low LMR group (40.2%, 16.4%, and 0%). Multivariate regression analyses showed that preoperative cholangitis, elevated CEA level and nerve invasion were risk factors for the OS of cholangiocarcinoma patients, while the high LMR level and postoperative treatment were protective factors for the OS of cholangiocarcinoma patients.ConclusionsPreoperative LMR was a vital prognostic factor to predict the prognosis of CCA patients with hepatic resection and provided additional prognostic value beyond standard clinicopathological parameters.
Envelope coronally advanced flap with site‐specific bilaminar acellular dermal matrix or connective tissue graft for management of multiple marginal tissue recessions: A retrospective analysis of cases
Authors: Reddy Saravanan Sampoornam Pape , Krishnan Shreehari Ambika , Singh Sangeeta , Ramachandra Krishnaprasad Kondajji , Singh Harjeet , Harish Ruchi , Francis Delfin Lovelina 
Published: February 2023

AbstractBackgroundA proper case selection and decision making is essential for management of multiple marginal tissue recessions (MTR) using a conventional or bilaminar approach. Coronally advanced flap (CAF) is one of the commonly used methods for management of MTR. CAF has been advocated in combination with soft tissue grafts as bilaminar technique, which had showed significant success in terms of root coverage.Methods and ResultsAim of this case series was to retrospectively evaluate Zucchelli's modification of envelope CAF (eCAF) and site‐specific bilaminar methods using Acellular Dermal Matrix (ADM) and Connective Tissue Graft (CTG) for management of MTR. A total of 15 subjects (five subjects/25 sites per technique, total number of sites = 75) who were managed by three different techniques with 12 months postoperative records were retrospectively evaluated. All patients showed significant clinical improvement in root coverage outcomes when compared to baseline. Mean root coverage achieved at 3 months (90%), 6 months (95%) and 12 months (95%) postoperatively did not reveal significant difference between three methods. Complete root coverage was observed in 86.6% of eCAF cases and in 86.6% and 95% of ADM/CTG with eCAF, respectively. There was an increase in width of keratinised tissue, both individually and collectively across all of the groups.ConclusionClinical outcomes suggested that bilaminar techniques should be used only in specific cases. Predictable results can be obtained without the use of a soft tissue graft or substitute if a careful treatment plan for technique selection is developed on an individual case‐by‐case basis.Key pointsWhy is this case new information?

Comparison of site‐specific bilaminar modalities with modified coronally advanced flap alone
What are the keys to successful management of such cases?

Flap advancement and mobilisation
Flap passivity
What are the primary limitations to success in such cases?

Case selection
Flap tension
Soft tissue phenotype
Thickness of graft
Operator skills
A rare case of gingival necrosis following an extraoral injection of dermal filler
Authors: Livada Rania , Shiloah Jacob 
Published: February 2023

AbstractBackgroundThe utilization of dermal fillers for cosmetic procedures has increased dramatically in the past several years, and so is the number of reported adverse events and complications. Most of these reports are centered on extraoral facial structures such as skin, nose, forehead, and eyes. However, as this report illustrates, intraoral complications are also possible and require appropriate management. Our extensive search of the medical and dental literature has failed to yield any such report.Methods and ResultsAn injection of dermal filler composed of hyaluronic acid for managing a deep nasolabial fold resulting in an arterial occlusion is presented. Patient exhibited facial skin necrosis, with ecchymoses and crusting, extending to the right eye. Transient diplopia and vision changes were also present. Additionally, intraoral necrosis of the palatal mucosa extending from the right central incisor to the molars and approaching the midline was noted. Patient was managed palliatively until complete re‐epithelization was noted, with no further loss of periodontal attachment.ConclusionThis case illustrates a rare oral complication of extraoral injection of a dermal filler, and its management. The clinicians should be aware of the potential risks of these cosmetic procedures. Early detection and timely management may prevent lasting damage and discomfort. Additionally, some of these complications may require a well‐coordinated multidisciplinary involvement to restore health and functions (plastic surgeon, dermatologist, ophthalmologist, and a periodontist).Key pointsWhy is this case new information?

Previous reports of adverse effects linked to dermal fillers were limited to extraoral structures such as the facial skin, nose, forehead, and eye. To the authors’ best knowledge, this is the first and only documented case of intraoral necrosis following dermal filler injection
What are the keys to successful management of this case?

The most important step in managing intra‐arterial filler injection and occlusion is the immediate injection of hyaluronidase enzyme to minimize the extent of tissue necrosis. In the case of ocular involvement, immediate referral to an ophthalmologist is required
What are the primary limitations to success in this case?

Success of managing the adverse effects of vascular occlusion following filler injection depends on several factors, including the anatomical area of occlusion, its extend, along with timely treatment
MicroRNA transcriptomics in liver of the freeze‐tolerant gray tree frog (Dryophytes versicolor) indicates suppression of energy‐expensive pathways
Authors: Ingelson‐Filpula W. Aline , Hadj‐Moussa Hanane , Storey Kenneth B. 
Published: February 2023

AbstractThe rapid and reversible nature of microRNA (miRNA) transcriptional regulation is ideal for implementing global changes to cellular processes and metabolism, a necessary asset for the freeze‐tolerant gray tree frog (Dryophytes versicolor). D. versicolor can freeze up to 42% of its total body water during the winter and then thaw completely upon more favorable conditions of spring. Herein, we examined the freeze‐specific miRNA responses in the gray tree frog using RBiomirGS, a bioinformatic tool designed for the analysis of miRNA‐seq transcriptomics in non‐genome sequenced organisms. We identified 11 miRNAs differentially regulated during freezing (miR‐140‐3p, miR‐181a‐5p, miR‐206‐3p, miR‐451a, miR‐19a‐3p, miR‐101‐3p, miR‐30e‐5p, miR‐142‐3p and ‐5p, miR‐21‐5p, and miR‐34a‐5p). Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analysis suggests these miRNAs play roles in downregulating signaling pathways, apoptosis, and nuclear processes while enhancing ribosomal biogenesis. Overall, these findings point towards miRNA inducing a state of energy conservation by downregulating energy‐expensive pathways, while ribosomal biogenesis may lead to prioritization of critical processes for freeze‐tolerance survival.
Electrochemical Conditioning of Metallurgically Prepared NiFe3 Binary Alloy for Facile Oxygen Evolution Reaction
Authors: Lin Li , Yu Siyang , Liu Juntong , Peng Jianying , Li Yannan , Chen Lijia 
Published: February 2023

AbstractLow‐cost fabrication and compositional manipulation of electrocatalyst are extremely vital to practical application. In this work, an OER electrode substrate composed solely of NiFe3 binary alloy was metallurgically prepared and was subjected to the electrochemical conditionings including the initial Fe‐leaching in a simple KSCN solution to attain the optimum Ni/Fe ratio, the subsequent LSV polarization to activate the OER‐enhancing species and the final CP‐aging in 1 M KOH solution to stabilize the electrocatalyst. The electrode substrate after being Fe‐leached is OER‐inactive, whereas the spinel type nickel ferrite NiFe2O4, which can be generated by LSV polarization, is considered as the “pre‐catalyst”. The “real‐time catalysts” are actually the Fe‐doped nickel (oxy)hydroxides (NixFe(1−x)OOH), which can be compositionally modulated by in‐situ CP‐aging to accomplish the further enhancement of OER properties. Being binder‐free, self‐supporting and substrate‐rejuvenating, the as‐prepared OER electrode needs an overpotential of only 266 mV to achieve the current density of 10 mA/cm2, and its advantages over all other conventionally prepared counterparts make it more suitable for facile oxygen evolution reaction.
Simulation of Reacting, Moving Granular Assemblies of Thermally Thick Particles by Discrete Element Method/Computational Fluid Dynamics
Authors: Mahiques Enric Illana , Brömmer Maximilian , Wirtz Siegmar , van Wachem Berend , Scherer Viktor 
Published: February 2023

AbstractThe potential and limitations of the discrete element method (DEM) coupled with computational fluid mechanics (CFD) to simulate chemically reacting, moving granular material interacting with a fluid flow are summarized. A special focus is set on thermally thick particles, which requires to resolve the intraparticle transport and reaction processes. The aspect of complex particle shape is addressed, as shape may dominate the particle behavior in densely packed granular assemblies even more than the details of contact force laws. The fluid flow in the granular assembly is assumed to be a gas. The potential of DEM/CFD will be highlighted presenting three illustrative examples: a large‐scale lime shaft kiln with intermittent operation, an industrial‐size grate firing system for the incineration of municipal waste, and a small‐scale straw pellet stove.
Mesoporous CuFe2O4 Photoanodes for Solar Water Oxidation: Impact of Surface Morphology on the Photoelectrochemical Properties**
Authors: Einert Marcus , Waheed Arslan , Moritz Dominik C. , Lauterbach Stefan , Kundmann Anna , Daemi Sahar , Schlaad Helmut , Osterloh Frank E. , Hofmann Jan P. 
Published: February 2023

AbstractMetal oxide‐based photoelectrodes for solar water splitting often utilize nanostructures to increase the solid‐liquid interface area. This reduces charge transport distances and increases the photocurrent for materials with short minority charge carrier diffusion lengths. While the merits of nanostructuring are well established, the effect of surface order on the photocurrent and carrier recombination has not yet received much attention in the literature. To evaluate the impact of pore ordering on the photoelectrochemical properties, mesoporous CuFe2O4 (CFO) thin film photoanodes were prepared by dip‐coating and soft‐templating. Here, the pore order and geometry can be controlled by addition of copolymer surfactants poly(ethylene oxide)‐block‐poly(propylene oxide)‐block‐poly(ethylene oxide) (Pluronic® F‐127), polyisobutylene‐block‐poly(ethylene oxide) (PIB‐PEO) and poly(ethylene‐co‐butylene)‐block‐poly(ethylene oxide) (Kraton liquid™‐PEO, KLE). The non‐ordered CFO showed the highest photocurrent density of 0.2 mA/cm2 at 1.3 V vs. RHE for sulfite oxidation, but the least photocurrent density for water oxidation. Conversely, the ordered CFO presented the best photoelectrochemical water oxidation performance. These differences can be understood on the basis of the high surface area, which promotes hole transfer to sulfite (a fast hole acceptor), but retards oxidation of water (a slow hole acceptor) due to electron‐hole recombination at the defective surface. This interpretation is confirmed by intensity‐modulated photocurrent (IMPS) and vibrating Kelvin probe surface photovoltage spectroscopy (VKP‐SPS). The lowest surface recombination rate was observed for the ordered KLE‐based mesoporous CFO, which retains spherical pore shapes at the surface resulting in fewer surface defects. Overall, this work shows that the photoelectrochemical energy conversion efficiency of copper ferrite thin films is not just controlled by the surface area, but also by surface order.