bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mortality Risk Prediction Models for People With Kidney Failure
Authors: Jarrar Faisal , Pasternak Meghann , Harrison Tyrone G. , James Matthew T. , Quinn Robert R. , Lam Ngan N. , Donald Maoliosa , Elliott Meghan , Lorenzetti Diane L. , Strippoli Giovanni , Liu Ping , Sawhney Simon , Gerds Thomas Alexander , Ravani Pietro 
Published: January 2025

ImportancePeople with kidney failure have a high risk of death and poor quality of life. Mortality risk prediction models may help them decide which form of treatment they prefer.ObjectiveTo systematically review the quality of existing mortality prediction models for people with kidney failure and assess whether they can be applied in clinical practice.Evidence ReviewMEDLINE, Embase, and the Cochrane Library were searched for studies published between January 1, 2004, and September 30, 2024. Studies were included if they created or evaluated mortality prediction models for people who developed kidney failure, whether treated or not treated with kidney replacement with hemodialysis or peritoneal dialysis. Studies including exclusively kidney transplant recipients were excluded. Two reviewers independently extracted data and graded each study at low, high, or unclear risk of bias and applicability using recommended checklists and tools. Reviewers used the Prediction Model Risk of Bias Assessment Tool and followed prespecified questions about study design, prediction framework, modeling algorithm, performance evaluation, and model deployment. Analyses were completed between January and October 2024.FindingsA total of 7184 unique abstracts were screened for eligibility. Of these, 77 were selected for full-text review, and 50 studies that created all-cause mortality prediction models were included, with 2 963 157 total participants, who had a median (range) age of 64 (52-81) years. Studies had a median (range) proportion of women of 42% (2%-54%). Included studies were at high risk of bias due to inadequate selection of study population (27 studies [54%]), shortcomings in methods of measurement of predictors (15 [30%]) and outcome (12 [24%]), and flaws in the analysis strategy (50 [100%]). Concerns for applicability were also high, as study participants (31 [62%]), predictors (17 [34%]), and outcome (5 [10%]) did not fit the intended target clinical setting. One study (2%) reported decision curve analysis, and 15 (30%) included a tool to enhance model usability.Conclusions and RelevanceAccording to this systematic review of 50 studies, published mortality prediction models were at high risk of bias and had applicability concerns for clinical practice. New mortality prediction models are needed to inform treatment decisions in people with kidney failure.
2,3‐Dihydro‐2‐phenylimidazo[2,1‐
b
]benzothiazole (BTM)
Authors: Li Ximin , Jiang Hui , Birman Vladimir B. 
Published: January 2025

Abstract

image

[

885051‐07‐0

]

C
15
H
12
N
2
S

(MW 252.33)

InChI =
1S/C15H12N2S/c1‐2‐6‐11(7‐3‐1)12‐10‐17‐13‐8‐4‐5‐9‐14(13)18‐15(17)16‐12/h1‐9,12H,10H2

InChIKey =
YGCWPCVAVSIFLO‐UHFFFAOYSA‐N

[

950194‐37‐3

]

(2
S
‐enantiomer)

InChI =
1S/C15H12N2S/c1‐2‐6‐11(7‐3‐1)12‐10‐17‐13‐8‐4‐5‐9‐14(13)18‐15(17)16‐12/h1‐9,12H,10H2/t12‐/m0/s1

InChIKey =
YGCWPCVAVSIFLO‐GFCCVEGCSA‐N

(enantioselective acylation catalyst useful for kinetic resolution (KR)

1

of benzylic

2

and propargylic alcohols

3

and oxazolidinones;

4

also utilized in desymmetrization of
meso
‐diol lobelanidine

5

); chiral Lewis base catalyst useful for acylative kinetic resolution (KR)
1
of secondary alcohols,

2,3,15–24

lactams and thiolactams,

4,25,26

acylative desymmetrization of a
meso
‐diol,

5

KR of
α
‐substituted alkanoic acids,

27–29

and
N
‐aroyl‐
β
‐lactams

33

; dynamic kinetic resolution (DKR)

30

of 2‐aryl‐propionic acids

31

and azlactones

32

via enantioselective alcoholysis; enantioselective hetero‐Diels–Alder,

34

[3 + 2] cycloadditions with azomethine ylides

35,36

and Diels–Alder

37

reactions, asymmetric synthesis of 1,5‐benzothiazepines,

38

[2,3]‐rearrangement of allylic ammonium ylides,

39

and silylative KR of alcohols.

40,41

Alternate Names
: benzotetramisole (BTM).

Physical Data
: white solid; mp 94.5–95.0 °C (from Et
2
O‐hexanes); [α]
D
= + 256.7° (
c
1.00, MeOH).

Solubility
: soluble in common solvents, including CHCl
3
, CH
2
Cl
2
, Et
2
O, THF, MeCN, PhMe, DMF,
tert
‐amyl alcohol, and MeOH. Slightly soluble in hexanes. Insoluble in H
2
O.

Preparative Methods
: prepared by heating 2‐chlorobenzothiazole with (
R
)‐(+)‐phenylglycinol in the presence of diisopropylethylamine at 130 °C, followed by treatment of the resulting intermediate with methanesulfonyl chloride and triethylamine at 0 °C in CH
2
Cl
2
and subsequent reflux.

2

Purification
: flash chromatography (5%
i
‐PrOH, 1% NEt
3
/hexanes) and recrystallization (Et
2
O/hexanes).

Handling, Storage, and Precautions
: may be stored at room temperature. Should be protected from excessive humidity. Toxicity data are unavailable. The racemic compound has been shown to possess pharmacological activity.

6
Tebbe Reagent: (C
5
H
5
)
2
Ti(μ‐Cl)(μ‐CH
2
)Al(CH
3
)
2
Authors: Weinhold Tyler D. , Frederich James H. 
Published: January 2025

image

[67719‐69‐1]

C
13
H
18
AlClTi

MW = 248.60

InChI =
1S/2C5H5.2CH3.CH2.Al.ClH.Ti/c2*1‐2‐4‐5‐3‐1;;;;;;/h2*1‐5H;2*1H3;1H2;;1H;/q;;;;;;;+1/p‐1

InChIKey =
QEJAQNUJXFLWSP‐UHFFFAOYSA‐M

(acts as progenitor to titanium methylidene used for chemoselective methylenation of carbonyls and titanocyclobutane formation via degenerate metathesis of alkenes)

Analysis of Reagent Purity:
The concentration of Tebbe reagent in a solution of toluene can be determined by
1
H NMR integration using 2‐
tert
‐butylcyclohexanone,

3

methyl benzoate,

5

or
p
‐anisaldehyde

1

as standards.
Allylchloromethyl Sulfide
Authors: Dhatrak Nagorao R. 
Published: January 2025

image

[51486‐48‐7]

C
4
H
7
ClS

(MW 122.61608)

InChI =
1S/C4H7ClS/c1‐2‐3‐6‐4‐5/h2H,1,3‐4H2

InChIKey =
XAKHMXAZBAGPKG‐UHFFFAOYSA‐N

Alternative Names:

3‐[(chloromethyl)sulfanyl]prop‐1‐ene

allylchloromethyl sulfide

chloromethyl allyl sulfide

allyl(chloromethyl) sulfide

allylthiomethylene chloride

3‐[(chloromethyl)thio]‐1‐propene

Physical Data:
colorless liquid with a foul odor. The boiling point is approximately 50–55 °C at 15 mm of Hg.

1

The compound slowly decomposes into fragments (eq 1) at higher temperatures in a gaseous state.

2

image

Solubility:
soluble in most of the organic solvents, insoluble in water.

Form Supplied in:
colorless oil, the toxicity data is unavailable.

Analysis of Reagent Purity:
the reagent is characterized by
1
H NMR spectroscopy (SciFinder, Spectrum ID: EN300‐6453693.nmr.y2020, Source: Enamine Ltd.).

Preparative Methods:
allylchloromethyl sulfide is prepared by passing anhydrous HCl gas through a solution of allyl mercaptan and paraformaldehyde under cold conditions (eq 2). The HCl gas is passed until a clear solution of allyl mercaptan and formaldehyde is obtained. The cooling is then discontinued and the rest of the reaction is carried out at room temperature. The biphasic reaction mixture is then separated and the organic layer is dried by contact with calcium chloride. The allylchloromethyl sulfide is recovered by distillation of the organic phase. The product is distilled at 50–55 °C at reduced pressure (15 mm of Hg).

1

image

This is the only method found in the literature as of now.

Handling, Storage, and Precautions:
allylchloromethyl sulfide is a foul‐smelling liquid.

1

Generally stored in a refrigerator. Storage for a longer time is not recommended as it undergoes auto‐oxidation to form impurities. The compound shall be handled in an active fume hood. Gloves and masks must be worn while handling this compound.
4‐(1,1‐Dimethylethyl)‐1,2,3‐thiadiazole
Authors: Yang Zhanhui , Chen Cunzhi 
Published: January 2025

image

[40753‐16‐0]

C
6
H
10
N
2
S

(MW 142.2200)

InChI =
1S/C6H10N2S/c1‐6(2,3)5‐4‐9‐8‐7‐5/h4H,1‐3H3

InChIKey =
OEPVZAPYTAHXAB‐UHFFFAOYSA‐N

(reagent widely used as the precursor of
tert
‐butylthioketene and 3,3‐dimethylbut‐1‐yne‐1‐thiolate in a wide array of reactions)

Physical Data:
mp 23 °C.

Solubility:
soluble in most organic solvents.

Form Supplied in:
beige powder or yellow oil, depending on the ambient temperature; not commercially available.

Analysis of Reagent Purity:
1
H NMR; GC‐MS.

Preparative Methods:
two widely used methods are listed as follows (eqs 1 and 2).

Method 1:
the mixture of ethyl hydrazinecarboxylate (1.56 g, 15 mmol), 3,3‐dimethylbutan‐2‐one (1.5 g, 15 mmol), acetic acid (0.2 mL), and ethanol (10 mL) was refluxed for 3 h. Afterward, the removal of ethanol gave white solids, which were directly dissolved in 1,2‐dichloroethane. Thionyl chloride (5 mL) was added to the solution dropwise at 0 °C and the reaction mixture was stirred overnight at room temperature to obtain the corresponding product (89% yield) (eq ).

1–5

image

Method 2:
the mixture of 3,3‐dimethylbutan‐2‐one (500 mg, 5 mmol),
p
‐toluenesulfonylhydrazide (931 mg, 5 mmol), potassium thiocyanate (486 mg, 5 mmol), iodine (2.54 g, 10 mmol), and CuCl
2
(335 mg, 2.5 mmol, 50 mol %) in DMSO (15 mL) was stirred at 100 °C for 1 h. After the reaction was complete, the mixture was quenched with saturated Na
2
S
2
O
3
solution and extracted with EtOAc. The combined organic layers were washed with brine, dried over anhydrous Na
2
SO
4
, and concentrated under reduced pressure. The residue was purified by column chromatography on silica gel to give the product in 55% yield (390 mg) (eq ).

6

image

Handling, Storage, and Precautions:
stored in glass or plastic bottles at ambient temperature; it may slowly decompose and turn brown when exposed to air and light for a long time.
Frequency of Spondyloarthritis Symptoms Among US Patients With Inflammatory Bowel Disease: A Cross‐Sectional Multi‐Center Study
Authors: Ermann Joerg , Hong Simon J. , Stahly Andrew , Dalal Rahul S. , Malik Fardina , Scott Frank I. , Click Benjamin , Way Anna , Davis John M. , Shmais Manar , Raffals Laura E. , Jan Reem , Silfen Alexa , Rubin David T. , Dharia Ishaan , Bhattacharya Abhik , Moghaddam Bahar , Mains Trayton , Kurland Jayde E. , Patel Sheena , Kuhn Kristine A. , Weisman Michael H. 
Published: January 2025

ObjectiveSpondyloarthritis (SpA) is the most common extraintestinal manifestation of inflammatory bowel disease (IBD). The application of screening tools to detect SpA in patients with IBD may lead to earlier recognition of SpA and affect treatment decisions.MethodsA combination of two previously described SpA screening questionnaires, the Detection of Arthritis in Inflammatory Bowel Disease (DETAIL) and IBD Identification of Spondyloarthritis Questionnaire (IBIS‐Q), was administered to consecutive patients with IBD attending IBD specialty clinics in six US academic medical centers. Demographic data, IBD, and rheumatology history were extracted by chart review.ResultsA total of 669 patients were analyzed. The median age was 40 years (interquartile range [IQR] 30–54) with a median disease duration of 12 years (IQR 6–22) and moderate to severe IBD based on medication exposure and history of bowel surgery. A total of 81 patients (12%) carried a diagnosis of an inflammatory rheumatic disease, whereas 75 (11%) had consulted a rheumatologist during the previous year. Using published cutoffs, 180 out of 669 patients (27%) screened positive with DETAIL, 266 (40%) with IBIS‐Q, and 275 (41%) with either questionnaire. Axial symptoms were more frequently reported than peripheral musculoskeletal complaints. Notably, 189 out of 275 (69%) screen‐positive patients had neither a documented inflammatory rheumatic disease diagnosis nor a visit with a rheumatologist within the past year.ConclusionA substantial proportion of patients with IBD have symptoms suggestive of SpA, and many of these may have undiagnosed SpA. The IBIS‐Q questionnaire appears to identify more potential SpA cases than DETAIL. Strategies are needed to prioritize rheumatology consultations for those patients with IBD who are most likely to benefit.
Efficient Electrosynthesis of Hydrogen Peroxide Enabled by a Hierarchical Hollow RE–P–O (RE = Sm, La, Gd) Architecture with Open Channels
Authors: Liu Zhiwei , Wang Zhaowu , Lv Diandian , Yang Hongyuan , Kang Zhenhui , Ghosh Suptish , Menezes Prashanth W. , Chen Ziliang 
Published: January 2025

AbstractThe electrochemical two‐electron oxygen reduction reaction (2e− ORR) offers a sustainable pathway for the production of H2O2; however, the development of electrocatalysts with exceptional activity, selectivity, and long‐term stability remains a challenging task. Herein, a novel approach is presented to addressing this challenge by synthesizing hierarchical hollow SmPO4 nanospheres with open channels via a two‐step hydrothermal treatment. The produced compound demonstrates remarkable 2e− selectivity, exceeding 93% across a wide potential range of 0.0–0.6 V in 0.1 m KOH, with a peak of 96% at 0.45 V. When employed as the cathode in a flow cell, the synthesized SmPO4 exhibits impressive stability at 100 mA cm−2 for 12 h, consistently achieving a Faradaic efficiency above 90%. Using X‐ray absorption, in situ Raman and Fourier‐transform infrared spectroscopies, theoretical calculations, and post‐ORR assessments, it is found that this hollow compound possesses intrinsic open channels and is characterized by the optimal metal atomic spacing, and exceptional structural and compositional stabilities. These factors significantly enhance the thermodynamics, kinetics, and stability of the 2e− ORR process. Notably, the produced compound also exhibits outstanding 2e− ORR performance in neutral environments. Furthermore, this strategy can be extended to other hollow rare‐earth–P–O compounds, demonstrating excellent 2e− ORR performance under both neutral and alkaline conditions.
Ultra‐Flexible High‐Linearity Silicon Nanomembrane Synaptic Transistor Array
Authors: Zhu Jiahao , Liu Chen , Gao Ruiyi , Zhang Yuming , Zhang Haonan , Cheng Shiyuan , Liu Dexing , Wang Jialiang , Liu Qi , Wang Zifan , Wang Xinwei , Jin Yufeng , Zhang Min 
Published: January 2025

AbstractThe increasing demand for mobile artificial intelligence applications has elevated edge computing to a prominent research area. Silicon materials, renowned for their excellent electrical properties, are extensively utilized in traditional electronic devices. However, the development of silicon materials for flexible neuromorphic computing devices encounters great challenges. To address these limitations, ultrasoft silicon nanomembranes have emerged as a focal point due to their capability to preserve the superior electrical properties of silicon while providing substantial mechanical flexibility and interfacial tunability. Despite these advantages, difficulties remain in the transfer process of silicon nanomembranes and their integration for flexible synaptic transistors. In this work, an organic–inorganic hybrid polyimide‐Al2O3 dielectric layer has been designed for synaptic behavior grown by an atomic layer deposition process, and integrated with a silicon nanomembrane to realize highly flexible synaptic transistors. These transistors demonstrate stable electrical performance even after undergoing 10 000 bending cycles at an extreme curvature radius of 2.2 mm. Furthermore, the silicon nanomembrane transistors effectively emulate synaptic functions, exhibiting exceptional linearity in their long‐term characteristics, making them suitable for the application scenarios of detecting subtle signals. When applied to handwritten digit recognition simulations, these synaptic transistors have achieved a high accuracy rate of 93.2%.
Emerging Wearable Acoustic Sensing Technologies
Authors: Liu Tao , Mao Yuchen , Dou Hanjie , Zhang Wangyang , Yang Jiaqian , Wu Pengfan , Li Dongxiao , Mu Xiaojing 
Published: January 2025

AbstractSound signals not only serve as the primary communication medium but also find application in fields such as medical diagnosis and fault detection. With public healthcare resources increasingly under pressure, and challenges faced by disabled individuals on a daily basis, solutions that facilitate low‐cost private healthcare hold considerable promise. Acoustic methods have been widely studied because of their lower technical complexity compared to other medical solutions, as well as the high safety threshold of the human body to acoustic energy. Furthermore, with the recent development of artificial intelligence technology applied to speech recognition, speech recognition devices, and systems capable of assisting disabled individuals in interacting with scenes are constantly being updated. This review meticulously summarizes the sensing mechanisms, materials, structural design, and multidisciplinary applications of wearable acoustic devices applied to human health and human–computer interaction. Further, the advantages and disadvantages of the different approaches used in flexible acoustic devices in various fields are examined. Finally, the current challenges and a roadmap for future research are analyzed based on existing research progress to achieve more comprehensive and personalized healthcare.
Recent Total Syntheses of Cephalotaxine‐Type Alkaloids and Their Structural Diversification (2021–2024): An Update
Authors: Oh Yeju , Reneesh Anagha , Jeon Hongjun 
Published: January 2025

AbstractCephalotaxine‐type alkaloids present a challenging yet rewarding target for synthetic chemists due to their intricate polycyclic structures and significant biological activity. This review consolidates recent reports (2021–2024) on the total synthesis of cephalotaxine‐type alkaloids, emphasizing innovative catalytic approaches and key transformations that enable efficient construction of the core tetracyclic framework. Advances in techniques such as asymmetric polycyclization, dual catalysis, and rearrangement strategies have streamlined synthetic routes, reducing the number of steps and enhancing stereocontrol. Additionally, structural diversification on the cephalotaxine scaffold during this period has offered valuable insights into structural modifications in medicinal chemistry and potential biosynthetic pathways. This review proposes a new structural classification of cephalotaxine‐type alkaloids. It covers ten recent total syntheses, providing detailed descriptions of the synthetic methodologies employed and comparative analyses with previous syntheses. Four reports on the structural diversification of cephalotaxines are also included.
A Promising Strategy for Searching High Energy Density Materials Based on 2,4,5‐Trinitro‐Imidazole Functional Backbone
Authors: Liu Wenjun , Jin Xinghui , Yuan Fang , Wang Yuexia , Zhou Jianhua , Wu Qiong 
Published: January 2025

AbstractA series of high energy density compounds are designed by altering the triazole, tetrazine, oxadiazole rings and energetic groups (such as −CN, −N3, −NH2, −NHNH2, −NO2, −NHNO2, −C(NO2)3, −CH(NO2)2) into 2,4,5‐trinitro‐imidazole skeleton. Their structures are optimized by density functional theory (DFT) methods at B3LYP/6‐311G (d,p) method. Based on the optimized structures, the impact of different rings and energetic groups on their energy gaps, heats of formation, detonation performance and sensitivities are investigated. The results show that compound F4 possesses the highest values of heats of formation due to their high nitrogen content. However, compound F2 possesses the highest values of detonation pressure and detonation velocity which indicates that the detonation performance are determined by values of density rather than those of heats of formation. Taking both detonation performance and impact sensitivities into consideration, compounds B4, C4, F4, I4, J4 and J8 are screened as high energy density compounds due to their excellent detonation performance and acceptable sensitivities compared to those of RDX. Finally, the distribution of frontier molecular orbital, the electrostatic potential area distribution, thermodynamic properties and weak interactions of the screened compounds are fully investigated.
Epigenomics of AD: a focus on DNA methylation and microRNAs
Authors: Lunnon Katie 
Published: January 2025

AbstractAlzheimer’s disease (AD) is a multi‐factorial and complex disease, with the risk of developing disease still largely unknown despite numerous genetic and epidemiological studies over recent years. Several genetic and modifiable lifestyle risk factors are known to contribute to disease etiology, and epigenetic mechanisms are suggested to also contribute my mediating their interaction. It is now ten years since we published the first cross‐tissue epigenome‐wide association study (EWAS) of DNA methylation in AD post‐mortem brain samples, with subsequent studies nominating robust and reproducible alterations in genes such as ANK1, HOXA3 and RHBDF2. We have leveraged these studies to perform large‐scale epigenomic meta‐analyses, reporting 220 differentially methylated loci that are altered in AD cortex, and which we are currently comparing to signatures in other neurodegenerative diseases. More recently we have undertaken DNA methylomic studies in blood in a quest to identify disease‐associated alterations in an easily accessible tissue, which could be potentially explored from a biomarker perspective. Finally, our most recent work has explored the contribution of non‐coding RNAs to regulating gene expression in AD cortex, where we have meta‐analyzed microRNA expression in ∼1,000 post‐mortem cortical brain samples, establishing cell‐type specific disease‐associated signatures.
miRNA, transcriptional regulation and cognitive decline
Authors: Fischer Andre , Sananbenesi Farahnaz , Nho Kwangsik , Krüger Dennis Manfred , Shaw Leslie M. , Saykin Andrew J. , Delalle Ivana 
Published: January 2025

AbstractBackgroundDespite significant advancements in the development of blood biomarkers for AD, challenges persist due to the complex interplay of genetic and environmental risk factors in AD pathogenesis. Epigenetic processes, including non‐coding RNAs and especially microRNAs (miRs), have emerged as important players in the molecular mechanisms underlying neurodegenerative diseases. MiRs have the ability to fine‐tune gene expression and proteostasis, and microRNAome profiling in liquid biopsies is gaining increasing interest since changes in miR levels can indicate the presence of multiple pathologies. We have profiled blood samples via smallRNA sequencing for 1056 individuals of the DELCODE and 847 individuals of the ANDI cohort.MethodsWe profiled blood samples via smallRNA sequencing for 1056 individuals of the DELCODE (German Longitudinal Cognitive Impairment and Dementia Study) and 847 individuals of the ANDI (Aging and Dementia in the Community) cohort, consisting of individuals diagnosed with SCD, MCI, AD, or control.ResultsBy applying differential expression, WGCNA, as well as linear and non‐linear machine learning approaches, we identify microRNA signatures that can help identify patients at distinct stages of disease progression, as well as signatures that can predict the course of the disease. These data are compared with phenotyping data, such as cognitive function and ATN biomarkers. We will also discuss the role of other non‐coding RNAs besides microRNAs and provide a framework for developing RNA‐based point‐of‐care assays.