bluuebunny/crossref_metadata_2025 huggingface dataset:
COMPARISONS OF NUMERICAL RANDOM WAVE SIMULATORS
Authors: Medina Josep R. , Sanchez-Carratala Carlos R.
Published: June 2019

A review of unidimensional numerical random sea simulators is provided, centering the attention on the measurement of distortions introduced by the different simulation techniques. Simulators by wave superposition are analyzed, with the conclusion being that they generate significant distortions on the realizations when the number of simulated points are larger than two times the number of wave components. Composed simulators are proposed for the purpose of generating long non-periodic realizations using FFT algorithms. In order to qualify simulators, a justification, based on physical properties of random waves, is given to use mn> m1» Qp and mo as the best spectral parameters to characterize processes. Mean values and variabilities of wave heights and periods are controlled by these parameters. A new robust technique is developed to estimate the parameters of an AR(p) model corresponding to a given target spectrum, S 77 ( f ). MA(q) and ARMA(p,q) approximations are studied. The source of pseudo-random numbers to generate the input white noise has a critical impact on the statistical properties of the output.
STATUS OF U.S.A. OCEAN ENERGY RECOVERY ACTIVITIES
Authors: Kim Young C. , Lewis Lloyd , McCormick Michael E. , Slotta Larry S.
Published: June 2019

The state of the art of ocean energy recovery activity in the United States is described. The technologies discussed in the paper include extraction of wave, tidal, ocean thermal and ocean current energy. This status report is intended to provide a description of the various ocean energy technologies and an assessment of potential benefits that might be expected and potential problems that might be encountered.
WHAT IS THE SLOPE OF EQUILIBRIUM RANGE IN THE FREQUENCY SPECTRUM OF WIND WAVES?
Authors: Liu Paul C.
Published: June 2019

An effort to empirically assess the slope of the equilibrium range in a wind-wave frequency spectrum with a large number of data recorded in the Great Lakes did not serve to clarify the uncertainty between a -4 or a -5 frequency exponent representation. The uncertainty is further compounded by indications that the slope is not necessarily unique, it tends to vary with wave momentum. For sufficiently well-developed wind waves the exponent appears to cluster between -3 and -4. For practical applications the f"* equilibrium range is perhaps an effective approximation. What the correct slope is for the equilibrium range, or even whether or not a unique slope exists, remains elusive and has yet to be satisfactorily substantiated.
WAVE FIELD BEHIND THE PERMEABLE DETACHED BREAKWATER
Authors: Ou Shan-Hwei , Tzang Shiaw-Yih , Hsu Tai-Wen
Published: June 2019

Based on the concept of linear superposition, the model for combined wave refraction and diffraction developed by Liu et al. is extended to the situation of permeable detached breakwaters in a slowly varying water depth. Two cases are investigated which include a semi-infinite permeable breakwater and a single permeable breakwater. Laboratory results with a particular transmission coefficient in a wave basin are used to compare with the theoretical results. Fair agreements are found.
TIME-DEPENDENT WAVE SHEAR STRESS
Authors: Vongvisessomjai Suphat
Published: June 2019

A knowledge of bed shear stress induced by waves is required to understand dynamic processes of nearshore morphologies as a results of sediment transport. However, the information on the stress is still incomplete due to lack of measured data. The study analyzes the unsteady horizontally averaged shear stresses measured over mobile beds in a water tunnel. It is found from the analysis that the presence of the third and fifth harmonics in the shear stress is in good agreement with the measured concentration of suspended sediments.
SWASH OSCILLATION AND RESULTING SEDIMENT MOVEMENT
Authors: Kobayashi Nobuhisha , Strzelecki Michael S. , Wurjanto Andojo
Published: June 2019

A numerical model for predicting the swash oscillation on a beach is described and compared with field data on wave setup and swash statistics on a moderately steep beach with a nearshore bar.
MOVABLE-BED EXPERIMENTS OF SHANTOU HARBOR
Authors: Jianwei Huang
Published: June 2019

The paper, based on the macroscopic analysis of the sediment movement, deals with the movable-bed model experiments of the coast under the combined action of the wave and tidal current. By these experiments we mainly desire to solve the problem of the way how to regulate the outer sandbar, including the rational trend of the guide dike, its length and the expected siltation amount in the navigation channel.
PREDICTIVE MODEL FOR DAILY CHANGES OF SHORELINE
Authors: Kotah Kazumasa , Yanagishima Shin-ichi
Published: June 2019

Beach profiles have been being measured every day on sandy beach at the Hazaki Oceanographical Research Facility, facing to the Pacific Ocean. Based on the data obtained during the period from March 12, 1986 to September 11, the relation between the daily changes of shoreline position and energy flux of incident waves is analyzed. A tentative predictive model of the short-term shoreline changes is proposed. A combination of this model and the one-line theory is examined.
PROTOTYPE APPLICATIONS OF A GENERALIZED SHORELINE CHANGE NUMERICAL MODEL
Authors: Krueger Hans Hanson , Gravens Mark B. , Kraus Nicholas C.
Published: June 2019

Three case studies are described in which long-term shoreline response was simulated using a numerical model. One project was along Kachemak Bay, Alaska and involved evaluation of design alternatives that included a detached breakwater, beach fill, and a revetment. The second project was on the north New Jersey coast and characterized by a long seawall and numerous groins. The third project was a model test of shoreline change behind three detached breakwaters Lake Erie. The shoreline response model used, called GENESIS, is demonstrated to have applicability to a wide range of commonly encountered shore protection situations.
INCEPTION OF SAND MOTION AROUND A LARGE OBSTACLE
Authors: Katsui Hidehiro , Toue Takao
Published: June 2019

To select a material for the top layer of the scour protection in the vicinity of a large-scale offshore structure, it is required to know when the material starts to move as a result of waves and currents. But, inception of the motion of sand particles in a region, where diffraction wave superimposes on incident wave and the water particles depict a resulting orbit of ellipse, differs from that calculated by formulae established in the two dimensional wave field. This paper reveals the discrepancy in calculation when the conventional formulae were used and the data obtained by model experiment. It makes reference, also, to a possible method for a more accurate evaluation of the inception of motion.
BEACH PROFILE CHANGE: MORPHOLOGY, TRANSPORT RATE, AND NUMERICAL SIMULATION
Authors: Larson Magnus , Kraus Nicholas C. , Sunamura Tsuguo
Published: June 2019

An empirically based engineering numerical model is presented for simulating beach profile change in the surf zone produced by waveinduced cross-shore sand transport. The model simulates the dynamics of macroscale profile change, such as the growth and movement of berms and breakpoint bars. Model development was founded on two data sets from large wave tank experiments consisting of 42 cases with different incident wave conditions, median grain size, and initial beach shape. Model predictions are tested with field data, and reasonable agreement is found.
STUDIES FOR VILLAJOYOSA'S BEACH REGENERATION (SPAIN)
Authors: Chorro Jose L. Campello , Chapapria Vicente J. de Esteban , Herrando Jose Aguilar , Gonzalez J. Javier Diez
Published: June 2019

In the last two years a whole of studies was realized in order to determine precise solutions to the regeneration of Villajoyosa's beach, in the Spanish mediterranean coast. Investigations were carried out to the surrounding coastal areas based in field investigations and laboratory analyses of the beaches materials.
ON THE EFFECTIVENESS OF OSCILLATING WATER COLUMN DEVICES IN REDUCING THE AGITATION IN FRONT OF VERTICAL WALLS HARBOR STRUCTURES
Authors: Cappietti Lorenzo , Simonetti Irene
Published: June 2019

Reducing wave reflection at vertical wall harbor structures is an important goal to ease mooring and maneuvering inside the port area. In this study, numerical simulations have been carried out to assess the effectiveness of Oscillating Water Column devices as anti-reflective systems to be integrated in vertical wall harbor structures. The numerical simulations have been carried out in a Numerical Wave Tank, implemented in the Computational Fluid Dynamics environment OpenFOAMÂ®. A methodological approach to separate the reflected and the radiated wave components is presented. The interaction (destructive/constructive interference) between the reflected and the radiated wave field is studied. Furthermore, a preliminary assessment of the effect of basic design parameters of the Oscillating Water Column on the wave field in front of the structure is discussed. A relatively good performance of the device is found, with a minimum reflection coefficient of around 15%, suggesting that the device could efficiently be used to reduce wave agitation in front of vertical wall harbor structures.
3‐Azido‐2‐methylbut‐3‐en‐2‐ol
Authors: Ning Yongquan , Bi Xihe
Published: November 2024

image

[1624363‐23‐0]

C
5
H
9
N
3
O

(MW 127.15)

InChI = 
1S/C5H9N3O/c1‐4(7‐8‐6)5(2,3)9/h9H,1H2,2‐3H3

InChIKey = 
BHVUPCHRWKFKHR‐UHFFFAOYSA‐N

(reagent acts as an acetonitrile carbanion for the coupling reaction and the cyanomethylation of radicals)

Alternative Name:
3‐azido‐2‐methylbut‐3‐en‐2‐ol.

Solubility:
dioxane, THF, DMF, CH
2
Cl
2
, alcohols, and most common organic solvents.

Form Supplied in:
colorless oil.

1

Purification:
flash column chromatography (silica gel; petroleum ether: ethyl acetate = 15:1).

1

Preparative Method:
the title reagent can be prepared from 3‐methyl butynol and TMSN
3
under Ag catalysis.

1

Handling, Storage, and Precautions:
store at 0 °C.

1
1,2‐Diphenyl‐1,1,2,2‐tetrahydroperoxyethane
Authors: Kaveh Khosravi
Published: November 2024

image

[1877235‐95‐4]

C
14
H
14
O
8

(MW 310.26)

InChI = 
1S/C14H14O8/c15‐19‐13(20‐16,11‐7‐3‐1‐4‐8‐11)14(21‐17,22‐18)12‐9‐5‐2‐6‐10‐12/h1‐10,15‐18H

InChIKey = 
YUKVUSPUUYUWCD‐UHFFFAOYSA‐N

(a powerful solid peroxide type oxidant, an alternative for aqueous hydrogen peroxide, and other similar hydroperoxides)

IUPAC Name:
1,1,2,2‐tetrahydroperoxy‐1,2‐diphenylethane (THPDPE).

Physical Data:
white solid, Mp: 97–100 °C.

Analysis of Reagent Purity:
Ft‐IR,
1
H‐NMR,
13
C‐NMR, CHN (elemental analysis).

Solubility:
soluble in ethanol, methanol, acetic acid, and some similar organic solvents, such as water (nearly).

Preparative Method:

Caution:
in all the reported articles, it is emphasized that this reagent is safe. However, it is important to note that all peroxides possess the potential for explosiveness and therefore should be handled with utmost caution. All reactions involving this reagent should be conducted behind a safety shield within a fume hood. Additionally, it is advisable to steer clear of using transition metal salts or direct heating in conjunction with this reagent.

To begin the reaction, SbCl
3
( 23 mg, 0.1 mmol) was added to a stirred solution of benzil (210 mg, 1 mmol) in CH
3
CN (5 mL), which was then stirred for 5 min at room temperature. Next, aqueous 30% H
2
O
2
(5 mmol) was added, and the resulting reaction mixture was allowed to stir for 24 h at room temperature. Upon completion, water (5 mL) was added. The product was then extracted using ethyl acetate. The organic layer was evaporated under reduced pressure. This process yielded the pure product in a 97% yield (300 mg).

1
Thionyl Fluoride
Authors: Peyrical Lauriane C.
Published: November 2024

image

[7783‐42‐8]

SOF
2

(MW 86.061)

InChI = 
1S/F2OS/c1‐4(2)3

InChIKey = 
LSJNBGSOIVSBBR‐UHFFFAOYSA‐N

(reagent used for fluorination, nucleophilic acyl substitutions including one‐pot peptide coupling and introduction of S(O)F group)

Alternative Names:
sulfinyl fluoride, sulfur difluoride oxide, sulfur difluoride monoxide, sulfurous oxyfluoride, thionyl difluoride.

Physical Data:
mp −129.5 °C, bp −43.8 °C, d 1.758 g cm
−3
.

Solubility:
soluble in ethanol, ether, and benzene. Hydrolyzes in water.

Form Supplied in:
colorless gas packaged in cylinders, commercially available.

Analysis of Reagent Purity:
singlet in
19
F NMR at δ −72.2.

1,2

IR (cm
−l
) 1333, 808, 748, 530, 410, 390.

3

Preparative Methods:
thionyl fluoride is typically generated from thionyl chloride and a fluoride salt followed by condensation of the resulting gas.

4

More conveniently, it can be generated ex situ, bubbled in various organic solvents, and used directly or kept as a stock solution.

5

It is also one of the major decomposition products of sulfur hexafluoride under electric discharges, by hydrolysis of sulfur tetrafluoride in air.

6

Purification:
fractionated distillation through a low‐temperature column.

Handling, Storage, and Precautions:
toxic gas that should be handled in a well‐ventilated fume hood.
Spiro[cyclopenta[2,1‐
b
:3,4‐
b′
]dipyridine‐5,9
′
‐fluorene]
Authors: Asako Sobi , Ilies Laurean
Published: November 2024

image

[171856‐25‐0]

C
23
H
14
N
2

(MW 318.38)

InChI = 
1S/C23H14N2/c1‐3‐9‐17‐15(7‐1)16‐8‐2‐4‐10‐18(16)23(17)19‐11‐5‐13‐24‐21(19)22‐20(23)12‐6‐14‐25‐22/h1‐14H

InChIKey = 
DRXUKNGBCQEAOM‐UHFFFAOYSA‐N

(reagent used as a supporting ligand in metal‐catalyzed processes and as a building block for materials science)

Alternative Name:
4,5‐diaza‐9,9′‐spirobifluorene, spirobipyridine, SpiroBpy.

Physical Data:
melting point = 254–255 °C.

Solubility:
soluble in acetone, toluene, chloroform, dichloromethane.

Form Supplied in:
colorless crystalline solid.

Preparative Methods:

1–3

. Acetic acid (30 mL) and sulfuric acid (1.0 mL) were added to a 100 mL two‐neck flask containing 5‐([1,1′‐biphenyl]‐2‐yl)‐5
H
‐cyclopenta[2,1‐
b
:3,4‐
b
′]dipyridin‐5‐ol (2.6 g, 7.6 mmol), prepared by reaction between 5
H
‐cyclopenta[2,1‐
b
:3,4‐
b
′]dipyridin‐5‐one and [1,1′‐biphenyl]‐2‐ylmagnesium iodide, and the mixture was stirred at 90 °C for 24 h. After cooling to room temperature, a light yellow solid precipitated, and it was collected by filtration and washed with acetic acid and heptane. It was neutralized with NaOH (aq.) and extracted with CH
2
Cl
2
three times. The combined organic solution was dried over MgSO
4
, filtered, and concentrated by rotary evaporation. The resulting solid was passed through a pad of silica gel (CH
2
Cl
2
/ethyl acetate = 1:1) to afford spiro[cyclopenta[2,1‐
b
:3,4‐
b
′]dipyridine‐5,9′‐fluorene] (2.1 g, 6.6 mmol, 86%) as a colorless solid. It can be further purified by recrystallization from CHCl
3
/Et
2
O/pentane to afford a colorless crystalline solid.

Handling, Storage, and Precautions:
store in cool, dry, and well‐ventilated area. Toxic if swallowed and in contact with skin.
Carbon Black
Authors: Niedermeier Werner , Chavez Ricardo , Westenberg Hauke , Schinkel Arndt‐Peter
Published: November 2024

Carbon black is a high‐tech raw material, with clearly defined properties, widely used in different fields of applications, as an excellent black pigment, reinforcing particle in polymers, UV‐protection agent as well as conductive material in batteries.

Due to its excellent pigmentation properties, especially its light stability and universal insolubility, carbon black has been used as a black pigment since early times. Today you can find it in car coatings, black dashboards, and inks.

Carbon black is also used as reinforcing particle to modify the mechanical and electrical properties of elastomers and plastics. Its largest application is in tires to improve durability, abrasion resistance, and traction.

The individual morphology parameters of the carbon black are tailored for each application. These parameters as well as the microstructure are discussed after the introduction in the second section. The following section deals with the methods to characterize the morphology and to carefully control the formation process. The following two sections focus on the formation and various production processes. Section 6 is devoted to the applications of carbon blacks in plastics and elastomers as a pigment as well as a reinforcing particle. The subject of achieving optimal quality dispersion and its importance to end‐use performance is also addressed. Finally, the topics of sustainability and product safety are outlined.
Determining oviposition preferences to inform population reinforcement of the specialist chequered blue butterfly (Scolitantides orion)
Authors: Dunskis Aivars , Stigenberg Julia , Ågren Jon , Sletvold Nina
Published: November 2024

Many Lepidoptera species are declining to the point that active measures such as reinforcements and reintroductions are necessary to maintain viable populations. To maximise success of such efforts, we need to understand the factors influencing habitat preferences for oviposition.

In a Swedish island population of the red‐listed chequered blue butterfly (Scolitantides orion), we characterised oviposition preference by documenting whether the presence and abundance of eggs (i) increased with size and local density of its host plant, orpine (Hylotelephium telephium), and (ii) was associated with nectar plant abundance, degree of shading, and ground cover composition within small and large circular plots (1 m vs. 5 m radius) around focal plants. To reinforce a tiny population on a neighbouring island, we released 127 pupae and 46 imagos and recorded oviposition for two seasons.

The probability of receiving eggs increased with focal host plant size, and also with mean size of other host plants and cover of lichens within the large plots. The abundance of eggs within large plots increased with host plant density and amount of lichen cover. Habitat characteristics of the large plots predicted oviposition better than did those of small plots, and both outperformed models including host plant size only.

In the reinforcement population, all released pupae eclosed, and we found a total of 507 eggs on 272 host plants during the release season. Eggs were present on 5% of examined host plants, and median distance to a release spot was 19.3 m. In the following year, we found 420 eggs on 209 plants, and median distance to a release spot increased to 35.7 m, indicating diffusion through the habitat.

Practical implication. The chequered blue butterfly prefers to oviposit on large host plants in patches with high host density and high cover of lichens. To identify suitable release habitats, environmental conditions should be considered in an area of ca 80 m2. The reinforcement shows that small releases can be successful and suggests that similar low‐effort approaches can be effective to boost local populations of many threatened butterflies, provided suitable habitats are available.
Noninvasive Deterministic Nanostructures Lithography on 2D Transition Metal Dichalcogenides
Authors: Ramò Lorenzo , Peci Ermes , Magnozzi Michele , Spotorno Emma , Venturino Valentina , Sygletou Maria , Giordano Maria Caterina , Zambito Giorgio , Telesio Francesca , Milosz Zygmunt , Canepa Maurizio , Bisio Francesco
Published: November 2024

The coupling of nanostructures with emerging 2D semiconductors is gaining significant interest thanks to the unique features of these hybrids systems, which make them key platforms for next‐generation applications in electronics, optoelectronics, and sensing. Top‐down lithographic approaches uniquely enable the fully deterministic high‐resolution fabrication of nanostructures, but some of them, like electron‐beam lithography and focused ion‐beam lithography, employ energetic particles that may damage 2D materials causing an unwanted loss of functionality. Herein thermal scanning probe lithography is applied for the realization of metallic nanoantennas directly on top of exfoliated 2D MoS2 flakes, showing it can avoid the degradation of this delicate substrate. It is shown that the morphologic and optical features of MoS2 are fully preserved after the lithography.
Unraveling the Effect of Electric Discharge Machining Current on the Fabrication of 3D Mo‐Doped VO0.2 Integrated Microsupercapacitors
Authors: Chen Ri , Lv Siqi , Xu Zehan , Qin Jie , Xu Yunying , Shu Zhaoyu , Wang Bocheng , Qu Muchao , Wang Wenxia , Zhitomirsky Igor , Liu Dawei , Zhou Wenjie , Xie Guangming , Jiang Mingyi , Yang Yong , Shi Kaiyuan
Published: November 2024

Vanadium oxides are widely used for microsupercapacitors (MSCs) due to their multiple‐valence and high theoretical capacitance. A conceptually new approach of electric discharge machining (EDM) with computer‐aided control is developed to one‐step fabricate Mo‐doped VO0.2‐based electrodes and devices with designable geometry. The results demonstrate that the Mo@VO0.2 integrated interdigital MSCs (IIMSCs) with the narrowest electrode distance of 300 μm show the best capacitive performance, which is furtherly manifested by the electric field simulation. Moreover, this work concentrates on expounding the relationships between the EDM machining current, surface morphology of Mo@VO0.2, and the capacitive behavior of Mo@VO0.2 IIMSCs. Compared to the machining current of 2 and 3 A, the machining current of 1 A facilitates synthesizing smaller Mo@VO0.2 particles with more porosity and higher surface area and thus achieving a larger capacitance value for Mo@VO0.2 IIMSCs device, which is achieving 32 mF cm−2 at 1 mV s−1, working well up to an ultrahigh scan rate of 30 V s−1, and obtaining a good cyclic stability of 88.61% after 5000 cycles. Moreover, this innovative EDM approach opens a new avenue for one‐step synthesis of various ceramic metal oxides for various microdevices such as microbatteries and microsensors.
Improvement of Mechanical Properties and Corrosion Resistance of As‐Extruded Mg–2Zn–2Al–0.3Mn Alloy Through Y Addition
Authors: Wang Yuhui , Yao Huai , Zhao Yanchun , Zhang Xueying , Zha Xiaoqin , Xiong Yi , Cao Wei , Wang Shubo
Published: November 2024

The microstructure of as‐extruded Mg–2Zn–2Al–0.3Mn–xY (0 ≤ x ≤ 5 wt%) alloys are investigated, revealing the influence of grain size and second‐phase particle size on the mechanical properties and corrosion resistance of alloys. Additionally, the alloy composition is optimized. In the results, it is indicated that all alloys undergo complete dynamic recrystallization. The average dynamic recrystallization grain size decreases, accompanied by the appearance of Al2Y and (Al, Zn)11Y3 particles whose contents and sizes increase as Y content increases. Therefore, the mechanical properties improve due to fine grain strengthening and fine particle dispersion strengthening, while corrosion resistance benefits also from the grain refinement at Y contents between 0 and 3 wt%. A rapid increase in size and number of larger second‐phase particles leads to a decrease in the alloys’ mechanical properties corrosion resistance, with excess addition of Y. Accordingly, an optimized Y addition is determined to be 3 wt% in this study.
NIR‐II Photoacoustic Imaging‐Guided Chemo‐Photothermal Therapy Using PA1094T Combined with Anti‐CD47 Antibody: Activating Pyroptosis against Orthotopic Glioblastoma
Authors: Li Shiying , Zeng Fanchu , Zhou Qi , Li Lanqing , Lo Hsuan , Chen Jiali , Fan Zhijin , Huang Guojia , Nie Liming
Published: November 2024

Treating glioblastoma (GBM) with single‐agent chemotherapy is often ineffective due to inefficient drug delivery and the immunosuppressive tumor microenvironment, which leads to drug resistance. Strategies that activate programmed cell death mechanisms and repolarized tumor‐associated macrophages toward an antitumoral M1‐like phenotype can help reverse the immunosuppressive tumor microenvironment. In this study, a novel approach using NIR‐II (1000–1700 nm) photoacoustic imaging (PAI)‐guided chemo‐photothermal therapy is presented. NIR‐II imaging, with its superior tissue penetration and reduced background noise, enables precise tumor targeting. A targeted nano prodrug is developed using poly (lactic‐co‐glycolic acid) nanoparticles loaded with A1094 dye and temozolomide (TMZ), coupled with an anti‐CD47 antibody. This system employs synergistic chemo‐photothermal therapy activated by NIR‐II light, inducing apoptosis, pyroptosis, and T‐cell activation. PAI provides rapid, point‐of‐care GBM diagnosis, and highlighted the effective targeting of the PA1094T nanoplatform. In a recurrent GBM model, the combination of PA1094T and anti‐CD47 antibody significantly enhances cancer cell phagocytosis and effectively remodels the immunosuppressive microenvironment, resulting in better therapeutic outcomes compared to conventional therapies. These results indicate that this NIR‐II PAI‐guided drug cocktail therapy is a promising strategy for treating GBM, potentially addressing drug resistance and improving treatment efficacy through enhanced targeting and immunomodulation.
Sn‐Pb Perovskite with Strong Light and Oxygen Stability for All‐Perovskite Tandem Solar Cells
Authors: Yang Ming , Bai Yang , Meng Yuanyuan , Tian Ruijia , Sun Kexuan , Lu Xiaoyi , Pan Haibin , Wang Jingnan , Zhou Shujing , Zhang Jing , Song Zhenhua , Wang Yaohua , Liu Chang , Ge Ziyi
Published: November 2024

Research on mixed Sn‐Pb perovskite solar cells (PSCs) is gaining significant attention due to their potential for high efficiency in all‐perovskite tandem solar cells. However, Sn2+ in Sn‐Pb perovskite is susceptible to oxidation, leading to a high defect density. The oxidation primarily occurs through two pathways: one involving a reaction with oxygen, and the other related to iodine defects, which generate I2 and further accelerate the oxidation of Sn2⁺, greatly reducing stability. First, to tackle the photo‐stability issues caused by iodine defects, amber acid (AA) is screened as the additive. The Carboxyl group on AA can strongly coordinate with Sn2+, reinforcing the Sn─I bond and electrostatically interacting with negatively charged defects. This interaction inhibits the photoinduced formation of I2 and the subsequent oxidation of Sn2+, thereby enhancing the stability of Sn─Pb PSCs under continuous illumination. Building on the foundation of AA, a reductive sulfhydryl group is introduced to synthesize thiomalic acid (TA). It inhibits the formation of Sn4+ in both the perovskite precursor and the perovskite film, thereby improving air stability while maintaining strong photostability. Consequently, single PSCs achieved a champion efficiency of 22.7%. The best‐performing two‐terminal all‐perovskite tandem solar cell achieved a power conversion efficiency of 28.6% with improved operational stability.
Triboelectrification During Water Intrusion–Extrusion into‐from Hydrophobic Nanopores
Authors: Bartolomé Luis , Littlefair Josh David , Amayuelas Eder , Johnson Liam J. W. , Le Donne Andrea , Šutka Andris , Meloni Simone , Grosu Yaroslav
Published: November 2024

Triboelectrification is of great importance for many classical (petroleum, pharmaceutical, polymers) and emerging (generators, sensors) technologies. For energy generation, the contact area between the materials experiencing tribocharging is a key parameter: in addition to the nature of the materials, tribocharging scales with contact area. In this work, an approach is proposed to maximize tribocharging contact area by exploring the cycle of water intrusion–extrusion into–from hydrophobic nanopores with surface area orders of magnitude higher compared to flat or even nanotextured surfaces. Here this study reports the first experimental evidence of electrical energy generation upon water intrusion‐extrusion cycle under bias voltage‐free conditions. Combining these experiments with hierarchical molecular dynamic simulations/ab initio calculations, a microscopic mechanism of triboelectrification is hypothesized for water and grafted silica. The proposed approach provides a methodological alternative to studying solid–liquid contact electrification and an alternative root for a noticeable increase of specific contact area for solid–liquid triboelectric nanogenerators.
Pd‐Catalyzed Denitrative C2‐Arylation of Oxazoles, Benzoxazoles, and Benzimidazoles with Nitroarenes
Authors: Feng Lin , Li Haiyan , Huang Lei , Yao Jiaxin , Duan Wengui , Yu Lin
Published: November 2024

A step‐economic method for C2‐arylated azoles via Pd‐catalyzed denitrative arylation of nitroarenes and azoles is reported. This protocol employs synthetically upstream nitroarenes as arylating reagents and proceeds through the selective cleavage of the C−NO2 and C−H bonds. Various nitroarenes and nitroheteroarenes were coupled with oxazoles, benzoxazoles, and methylbenzimidazoles, achieving yields of up to 95%. The method's utility is exemplified by its application in the synthesis of Flunoxaprofen. This strategy reduces synthetic steps and minimizes pollution, offering substantial cost‐effectiveness and environmental benefits. Furthermore, the relatively inert C−NO2 bond in nitroarenes enables late‐stage functionalization or stepwise coupling reactions, providing a complementary method for C2‐arylation of azoles.
A Sensitive, Specific and Fast Electrochemical‐based Nanobiosensor Diagnostic for Xanthomonas albilineans, the Cause of Sugarcane Leaf Scald Disease
Authors: Chakraborty Moutoshi , Bhuiyan Shamsul Arafin , Strachan Simon , Shiddiky Muhammad J.A. , Nguyen Nam‐Trung , Soda Narshone , Ford Rebecca
Published: November 2024

Leaf scald (LS) caused by Xanthomonas albilineans (Xalb), is a major bacterial disease of sugarcane. The unreliable symptom expressions make traditional visual detection challenging. The molecular methods of detection require expensive equipment, labor‐intensive, and time‐consuming. This study proposes a novel electrochemical (EC)‐approach, that is relatively easy to use and less expensive to detect Xalb DNA in LS‐infected sugarcane leaves, meristematic tissue, and xylem sap samples. This method involves three key steps: i) DNA isolation from sugarcane samples via boiling lysis; ii) magnetic purification of target sequences from the lysate using magnetic bead‐bound capture probes; and iii) EC detection of the target DNA. The method shows excellent detection sensitivity (10 cells µL−1), reproducibility (Standard deviation, SD <5%, for n = 3), and a wide linear dynamic range (1 nM–1 fM or 106–10° copies µL−1, r = 0.99). The EC assay has a strong negative correlation with quantitative polymerase chain reaction (qPCR) results (r = −0.95–0.97, n = 24, p < 0.001), and weak or no correlation with the varietal resistance ratings. This EC‐based assay can be a commercially viable alternative, providing a DNA isolation/purification‐free solution, and can potentially be adapted into a handheld device for on‐farm detection and quantification of the LS‐causing pathogen.
Empirical Modification of Force Fields for the Development of Peptide‐Based Gas Sensors
Authors: Ngo Thuc Anh , Yildirim Tanju , Feng Meng‐Qun , Minami Kosuke , Shiba Kota , Yoshikawa Genki
Published: November 2024

Molecular dynamics models combined with computational approaches can be used as advanced screening techniques for finding highly efficient material‐molecule interactions based on binding affinity, including in the development of gas sensors. However, most models are originally designed for liquid phase interactions, which do not align with gas sensing conditions, resulting in lower‐than‐expected performance. This study introduces an empirical modification method to adjust peptide interaction models for a gas phase, aiming to better accommodate the interaction between pentapeptides and target gas molecules. By adapting the weights of terms in the Gibbs free energy equation given in an empirical force field model, we demonstrate a significant increase in the absolute value of coefficient of determination (R02) , from an average of 0.05 with conventional liquid phase models to 0.90 with proposed gas phase models. An empirical modification technique for gas phase interactions markedly enhances the prediction accuracy of models, facilitating the effective development of peptide‐based gas sensors.
Enhancing Perovskite Solar Cell Durability via Strategic Cation Management in Chalcogenide‐Based Hole Transport Layer
Authors: Sadhu Anupam , Salim Teddy , Sun Qingde , Lie Stener , Julianto Edwin , Wong Lydia H.
Published: November 2024

Copper‐chalcogenide‐based inorganic holetransport layers (HTLs) are widely studied in perovskite solar cells (PSCs) because of their favorable valence band maximum and their ability to passivate interfacial defects through Pb‐S interactions. These compounds are shown to produce stable PSCs because of their high intrinsic stability. However, the density functional theory (DFT) calculations and X‐ray photoelectron spectroscopy analysis presented here reveal that the presence of Cu in the HTL can weaken the interfacial Pb‐S interactions and compromise the device stability. A clear inverse relationship is observed between the stability of perovskite film and the Cu‐concentration in the HTL underneath. Therefore, to minimize the detrimental effect of Cu, this work explores Cu‐deficient chalcopyrite compounds, CuIn3S5 and Cu(InxGa(1‐x))3S5, as HTLs for PSCs, which results in improved device stability. DFT calculations reveal that incorporating gallium into the HTL reduces the HTL‐perovskite interfacial energy, which results in further enhancement of device stability. The average T80 lifetimes (the time to retain 80% of the initial efficiency) under ambient conditions for the NiO, CuIn3S5, and Cu(In0.3Ga0.7)3S5 HTL‐based devices are 200, 449, and 656 h, respectively. These findings underscore the significant roles of cations and anions of the inorganic transport layer in enhancing the stability of the PSCs.
Hydrodynamics and mass transfer performance of gas–liquid two‐phase flow in a high‐throughput chaotic microreactor
Authors: Zhang Jia‐Ni , Tong Hao‐Tian , Shi Zu‐Chun , Xie Ting‐Liang , Liu Qiang , Wei Shi‐Xiao , Yin Shuang‐Feng
Published: November 2024

Microbubbles have been widely applied in various fields. Here, an oscillating feedback microreactor (OFM) was designed to produce microbubbles at high throughput (5–80 mL/min), where the hydrodynamics and mass transfer performance of gas–liquid two‐phase system were investigated. The hydrodynamics results showed that three secondary flows (oscillation, vortex, and feedback) could be effectively generated for inducing chaotic flow in the OFM, and the gas phase could be effectively broken up into small microbubbles. The bubble size was more sensitive to the liquid phase flow rate than the gas phase. Two dimensionless prediction formulas for bubble Sauter size were proposed based on gas–liquid flow ratio and Reynolds number at different liquid flow rates. The mass transfer experiments showed that the volumetric average mass transfer coefficient kLa was 1–3 orders of magnitude higher than those of conventional reactors.
Direct conversion of syngas into methyl acetate by relay catalysis: From fabrication of active sites to process control
Authors: Liu Suhan , Wu Gongli , Chen Yuqing , Han Yaoyao , Zhang Mingchao , Kang Jincan , Tang Min , de Jong Krijn P. , Zhang Qinghong , Wang Ye , Cheng Kang
Published: November 2024

The direct and selective conversion of syngas into C2+ oxygenates is challenging due to the complex reaction network. Here, we report a robust relay system for the direct synthesis of methyl acetate (MA) from syngas, which combines CuZnAlOx/H‐ZSM‐5 for syngas to dimethyl ether (DME) with modified H‐MOR for DME carbonylation. The dehydration of methanol to DME on H‐ZSM‐5 significantly enhanced the hydrogenation of CO on CuZnAlOx, because of high DME equilibrium yields. Blocking of Brönsted acid sites with basic molecules or selective dealumination of 12‐membered rings in H‐MOR suppressed the zeolite coking. Besides, reaction temperatures above 240°C avoided H2O poisoning of carbonylation sites inside 8‐MR side pockets of H‐MOR, further benefiting the catalytic stability. Eventually, this relay system provided a high MA selectivity of 75% and an acetic acid selectivity of 13% at a CO conversion of 65%, outperforming reported catalysts.
Discharge reactor for fabricating efficient supported metal catalysts at room temperature in the absence of H2
Authors: Liu Peng , Meng Xin‐Yu , Wang Xujun , Zhao Yiyi , Men Yu‐Long , Pan Yun‐Xiang
Published: November 2024

Supported metal catalysts have been widely applied and commonly fabricated through the H2 reduction process. Herein, we develop a H2‐free room‐temperature discharge‐driven reduction (RT‐DR) reactor for fabricating supported metal catalysts at room temperature without H2. By RT‐DR reactor, a catalyst with pseudo‐boehmite (PB) as support (CdS/Pt/PB) is fabricated. In visible‐light‐driven photocatalytic H2O splitting to H2, CdS/Pt/PB shows a H2 evolution rate of 1132 μmol h−1, which is greatly enhanced than that on catalyst prepared by traditional H2‐reduction (633 μmol h−1). RT‐DR reactor is also used to prepare a catalyst with low sodium PB (LSPB) as support (CdS/Pt/LSPB). In visible‐light‐driven photocatalytic H2O splitting to H2, CdS/Pt/LSPB shows a H2 evolution rate of 2554 μmol h−1, which is 2.5 times higher than that on catalyst prepared by traditional H2‐reduction (1029 μmol h−1). Thus, RT‐DR reactor has high efficiency and universality in preparing catalysts, thus offering a great potential for commercialization.
Restructuring of Femoral Cortical Bone During Growth and Locomotor Development of Wild Chimpanzees (Pan troglodytes verus)
Authors: Swan Karen R. , Tsegai Zewdi J. , Ives Rachel , Humphrey Louise T.
Published: November 2024

Objective

Chimpanzees are altricial in terms of their locomotor development and transition from being carried to engaging in suspensory and arboreal locomotor behaviors to eventually relying on terrestrial quadrupedalism as their main form of locomotion. Here, we consider the mechanical implications of femoral cortical bone restructuring during growth and locomotor development in wild chimpanzees.

Materials and Methods

Cortical bone structure was examined in an ontogenetic sample of wild chimpanzees from a single subspecies (P. t. verus) spanning in age from 2 weeks to 12.6 years. Diaphyseal cross‐sections were extracted from micro‐CT scans of the femur at 35%, 50%, and 65% of total intermetaphyseal length and variation in cortical bone structure was assessed based on bending rigidity (Imax/Imin, Ix/Iy), relative medullary area, and cortical bone porosity.

Results

Diaphyseal shape is relatively circular with a high amount of cortical bone porosity and a large relative medullary area during early infancy. Distinct shifts in cortical bone structure occurred for each studied parameter with the biggest changes occurring within the first 5 years. Values appear to stabilize as quadrupedal walking increases in frequency and is established as the main form of locomotion.

Discussion

Collectively, the results suggest a degree of integration in which cortical bone restructures in response to rapid changes in locomotion in addition to nonmechanical influences such as hormonal, and growth factors, without compromising function and structural integrity. The extent of influence of each factor varies throughout growth and highlights the need for caution in functional interpretations of cortical bone geometry.
The detection of GRN mutation carriers by progranulin blood protein levels from finger‐stick collection
Authors: Huber Hanna , Cantoni Valentina , Altomare Daniele , Grötschel Lana , Montoliu‐Gaya Laia , Meda Francisco , Kvartsberg Hlin , Libri Ilenia , Cotelli Maria Sofia , Zetterberg Henrik , Blennow Kaj , Borroni Barbara , Ashton Nicholas J.
Published: November 2024

INTRODUCTION

Heterozygous mutations in the progranulin gene (GRN) leading to decreased progranulin levels are one of the most frequent causes of inherited frontotemporal dementia (FTD). We evaluated progranulin levels in dried blood spots from capillary finger‐stick collection (DBScapillary).

METHODS

Paired venous Ethylenediaminetetraacetic acid (EDTA) plasma and DBScapillary samples were collected from each participant with or without pathogenic GRN mutations.

RESULTS

DBScapillary progranulin levels in GRN mutation carriers (mean [SD] age, 55 [13] years; n = 16) were reduced compared to non‐mutation carriers (64 [11] years; n = 44) (2.38 ng/mL [1.0] vs 4.37 [0.68] ng/mL; U = 42; p < 0.0001, ROC AUC = 0.94 [95% CI: 0.83 to 1.00]) and highly associated with venous plasma levels (R = 0.819; p < 0.001).

DISCUSSION

Progranulin levels can be accurately determined from finger‐stick blood samples. This can enable regular and remote monitoring of this protein in FTD therapeutic trials and potentially serve as a first‐level screening test for GRN mutations.

Highlights

Progranulin levels measured using capillary dried blood spots were significantly reduced in GRN mutation carriers compared to non‐mutation carriers.

Progranulin levels measured using capillary dried blood spots strongly correlated with levels from venous EDTA plasma.

DBScapillary progranulin levels were able to identify GRN mutation carriers with high accuracy.

DBScapillary might allow repeated measurements of progranulin levels in a remote and unsupervised setting, circumventing the restrictions of traditional venous blood collection.

DBScapillary might be used to assess the biological efficacy of disease‐modifying therapies in clinical trials aiming to increase baseline progranulin levels or as a first‐level screening for GRN mutations in primary settings.
Impact of the Hawking Effect on the Fully Entangled Fraction of Three‐Qubit States in Schwarzschild Spacetime
Authors: Mi Guang‐Wei , Huang Xiaofen , Fei Shao‐Ming , Zhang Tinggui
Published: November 2024

Wu et al. [J. High Energ. Phys. 2023, 232 (2023)] first found that the fidelity of quantum teleportation with a bipartite entangled resource state, completely determined by the fully entangled fraction (FEF) characterized by the maximal fidelity between the given quantum state and the set of maximally entangled states, can monotonically increase in Schwarzschild spacetime. The Hawking effect on the FEF of quantum states in tripartite systems is investigated. In this study, it is showed that the Hawking effect of a black hole may both decrease and increase the FEF in Schwarzschild spacetime. For an initial X‐type state, it is found that the Hawking effect of the black hole has both positive and negative impacts on the FEF of Dirac fields, depending on the selection of initial states. For an initial W‐like state, the Hawking effect of the black hole has only a positive impact on the FEF of Dirac fields, independent of the selection of initial states. These results provide an insightful view of quantum teleportation in multipartite systems under the influence of Hawking effects, from the perspective of quantum information and general relativity.
Regioregular Poly(p‐phenylene iminoborane): A Strictly Alternating BN‐Isostere of Poly(p‐phenylene vinylene) with Stimuli‐Responsive Behavior
Authors: Chorbacher Johannes , Klopf Jonas , Friedrich Alexandra , Fest Maximilian , Schneider Johannes S. , Engels Bernd , Helten Holger
Published: November 2024

Incorporation of BN units into π‐conjugated organic compounds, as substitutes for specific CC couples, often leads to new hybrid materials with modified physical and chemical properties. Poly(p‐phenylene iminoborane)s are derived from well‐known poly(p‐phenylene vinylene) (PPV) by replacement of the vinylene groups by B=N linking units. Herein, an unprecedented poly(p‐phenylene iminoborane) is presented that features a strictly alternating sequence of BN units along the main chain. The synthesis thereof was achieved by AB‐type polymerization of a monomer featuring an N and a B terminus. Monodisperse oligomers with up to three BN units in the chain were additionally prepared and structurally characterized. Associated with the introduction of a dipole in the regioregular backbone structure, they display notable fluorescence already in solution and large Stokes shifts, distinct from their previously reported BBNN‐sequenced congeners. All compounds show aggregation‐induced emission enhancement (AIEE) properties. Computational studies provided evidence for emission from either locally excited (LE) or twisted intramolecular charge transfer (TICT) states. These processes can be optionally addressed by various stimuli, giving rise to dual emission, solvatochromic, thermochromic, and reversible mechanochromic behavior.
An Advanced 3D Crosslinked Conductive Binder for Silicon Anodes: Leveraging Glycerol Chemistry for Superior Lithium‐Ion Battery Performance
Authors: Yu Yuanyuan , Yang Chen , Zhu Jiadeng , Xue Baolong , Zhang Junhua , Jiang Mengjin
Published: November 2024

Silicon (Si) anodes hold great promise for high‐capacity lithium‐ion batteries (LIBs), yet their practical application is hindered by severe volume expansion and mechanical degradation. To tackle these challenges, we present an innovative 3D crosslinked conductive polyoxadiazole (POD) binder engineered with glycerol (GL) to form a robust network of covalent and hydrogen bonds. This unique chemical architecture not only enhances adhesion and mechanical resilience to effectively dissipate the stresses induced by Si's volumetric changes but also constructs a robust conductive framework to facilitate electron transfer. The dynamic interplay between strong covalent and flexible hydrogen bonds in the POD‐c‐GL binder enables superior structural integrity and stable solid‐electrolyte interphase (SEI) during cycling. The Si@POD‐c‐GL anode exhibits remarkable electrochemical performance, including a high initial Coulombic efficiency, impressive rate capability, and outstanding cycling stability. This work highlights the potential of harnessing in situ crosslinking chemistry to develop advanced binders, paving the way for the next generation of high‐performance Si anodes in LIBs.
Rechargeable Lithium‐Hydrogen Gas Batteries
Authors: Liu Zaichun , Ma Yirui , Ali Khan Nawab , Jiang Taoli , Zhu Zhengxin , Li Ke , Zhang Kai , Liu Shuang , Xie Zehui , Yuan Yuan , Wang Mingming , Zheng Xinhua , Sun Jifei , Wang Weiping , Meng Yahan , Xu Yan , Chuai Mingyan , Yang Jinlong , Chen Wei
Published: November 2024

The global clean energy transition and carbon neutrality call for developing high‐performance batteries. Here we report a rechargeable lithium metal ‐ catalytic hydrogen gas (Li−H) battery utilizing two of the lightest elements, Li and H. The Li−H battery operates through redox of H2/H+ on the cathode and Li/Li+ on the anode. The universal properties of the H2 cathode enable the battery to demonstrate attractive electrochemical performance, including high theoretical specific energy up to 2825 Wh kg−1, discharge voltage of 3 V, round‐trip efficiency of 99.7 %, reversible areal capacity of 5–20 mAh cm−2, all‐climate characteristics with a wide operational temperature range of −20–80 °C, and high utilization of active materials. A rechargeable anode‐free Li−H battery is further constructed by plating Li metal from cost‐effective lithium salts under a low catalyst loading of <0.1 mg cm−2. This work presents a route to design batteries based on catalytic hydrogen gas cathode for high‐performance energy storage applications.