bluuebunny/crossref_metadata_2025 huggingface dataset:
Improving the estimation of volumetric water sales for billing
Authors: Donkor Emmanuel A.
Published: September 2013

This article considers the managerial problem of estimating volumetric water sales for purposes of billing when consumption data are deficient and when a water utility operates in a heterogeneous urban environment characterized by diverse socioeconomic features. A dummy variable regression model was developed and used to assess how housing sector affects residential water consumption when the former is moderated by number of households and resident population for a customer account. Results show that spatial variation in residential water consumption exists and that both resident population and number of households are significant determinants. This implies that commercial managers of water utilities should consider service location when estimating average volumetric water sales for billing purposes.
Low‐risk cyanobacterial bloom sources: Cell accumulation within full‐scale treatment plants
Authors: Zamyadi Arash , Dorner Sarah , Ndong Mouhamed , Ellis Donald , Bolduc Anouka , Bastien Christian , Prévost Michèle
Published: September 2013

Toxic cyanobacteria in drinking water sources and within drinking water treatment plants (DWTPs) have been increasingly documented, even in regions with historically infrequent blooms. The main objective of the authors' research was to study the accumulation of potentially toxic cyanobacteria within two full‐scale DWTPs (Eastern Canada) fed by water sources considered to have a low risk of cyanobacterial presence. Intensive in vivo measurements were conducted on raw, clarified, filtered, and chlorinated waters. Samples were also taken for microscopic counts, toxin analyses, and water characterization. Cyanobacterial profiles were mapped in the sedimentation and filtration basins using a fluorescence probe. Even though cell numbers at the water intake were below 400 cells/mL, an accumulation of cyanobacterial cells was observed in the sludge bed of clarifiers (more than 1 × 106 cells/mL) and on the surface of the sedimentation and filtration basins. Microcystis and Gloetrichia were the dominant genera. Preozonation of raw water helped with the removal of cells in the clarification process.
One-Stage Nipple and Breast Reconstruction Following Areola-Sparing Mastectomy
Authors: Kim Hye Ri , Lim Jin Soo , Kim Sue Min , Jung Sung No , Yoo Gyeol , Rha Eun Young
Published: September 2013

Background Skin-sparing mastectomy with immediate breast reconstruction is increasingly becoming a proven surgical option for early-stage breast cancer patients. Areola-sparing mastectomy (ASM) has also recently become a popular procedure. The purpose of this article is to investigate the reconstructive and aesthetic issues experienced with one-stage nipple and breast reconstruction using ASM.

Methods Among the patients who underwent mastectomy between March 2008 and March 2010, 5 women with a low probability of nipple-areolar complex malignant involvement underwent ASM and immediate breast reconstruction with simultaneous nipple reconstruction using the modified C-V flap. The cosmetic outcomes of this series were reviewed by plastic surgeons and patient self-assessment and satisfaction were assessed via telephone interview.

Results During the average 11-month follow-up period, there were no cases of cancer recurrence, the aesthetic outcomes were graded as excellent to very good, and all of the patients were satisfied. Two patients developed a gutter-like depression around the reconstructed nipple, and one patient developed skin erosion in a small area of the areola, which healed with conservative dressing. The other complications, such as necrosis of the skin flap or areola, seroma, hematoma, or fat necrosis did not occur.

Conclusions Since one-stage nipple and breast reconstruction following ASM is an oncologically safe, cost-effective, and aesthetically satisfactory procedure, it is a good surgical option for early breast cancer patients.
The Effect of Breast Hypertrophy on Patient Posture
Authors: Lapid Oren , de Groof E Joline , Corion Leonard UMC , Smeulders Mark JC , van der Horst Chantal MAM
Published: September 2013

Background One of the reasons women with macromastia chose to undergo a breast reduction is to relieve their complaints of back, neck, and shoulder pain. We hypothesized that changes in posture after surgery may be the reason for the pain relief and that patient posture may correlate with symptomatic macromastia and may serve as an objective measure for complaints. The purpose of our study was to evaluate the effect of reduction mammaplasty on the posture of women with macromastia.

Methods A prospective controlled study at a university medical center. Forty-two patients that underwent breast reduction were studied before surgery and an average of 4.3 years following surgery. Thirty-seven healthy women served as controls. Standardized lateral photos were taken. The inclination angle of the back was measured. Regression analysis was performed for the inclination angle.

Results Preoperatively, the mean inclination angle was 1.61 degrees ventrally; this diminished postoperatively to 0.72 degrees ventrally. This change was not significant (P-value=0.104). In the control group that angle was 0.28 degrees dorsally. Univariate regression analysis revealed that the inclination was dependent on body mass index (BMI) and having symptomatic macromastia; on multiple regression it was only dependent on BMI.

Conclusions The inclination angle of the back in breast reduction candidates is significantly different from that of controls; however, this difference is small and probably does not account for the symptoms associated with macromastia. Back inclination should not be used as a surrogate "objective" measure for symptomatic macromastia.
Reconstruction of the Lower Extremity Using Free Flaps
Authors: Kang Min Jo , Chung Chul Hoon , Chang Yong Joon , Kim Kyul Hee
Published: September 2013

Background The aim of lower-extremity reconstruction has focused on wound coverage and functional recovery. However, there are limitations in the use of a local flap in cases of extensive defects of the lower-extremities. Therefore, free flap is a useful option in lower-extremity reconstruction.

Methods We performed a retrospective review of 49 patients (52 cases) who underwent lower-extremity reconstruction at our institution during a 10-year period. In these patients, we evaluated causes and sites of defects, types of flaps, recipient vessels, types of anastomosis, survival rate, and complications.

Results There were 42 men and 10 women with a mean age of 32.7 years (range, 3-72 years). The sites of defects included the dorsum of the foot (19), pretibial area (17), ankle (7), heel (5) and other sites (4). The types of free flap included latissimus dorsi muscle flap (10), scapular fascial flap (6), anterolateral thigh flap (6), and other flaps (30). There were four cases of vascular complications, out of which two flaps survived after intervention. The overall survival of the flaps was 96.2% (50/52). There were 19 cases of other complications at recipient sites such as partial graft loss (8), partial flap necrosis (6) and infection (5). However, these complications were not notable and were resolved with skin grafts.

Conclusions The free flap is an effective method of lower-extremity reconstruction. Good outcomes can be achieved with complete debridement and the selection of appropriate recipient vessels and flaps according to the recipient site.
Vascularisation of Urethral Repairs with the Gracilis Muscle Flap
Authors: Kua Ee Hsiang Jonah , Leo Kah Woon , Ong Yee Siang , Cheng Christopher , Tan Bien-Keem
Published: September 2013

Background The ability to achieve a long-term, stricture-free urethral repair is one of the ongoing challenges of reconstructive urologic surgery. A successful initial repair is critical, as repeat procedures are difficult, owing to distortion, scarring, and short urethral stumps.

Methods We describe a technique in which the gracilis muscle flap is laid on or wrapped around the urethral repair site to provide a well-vascularised soft tissue reinforcement for urethral repair. This technique promotes vascular induction, whereby a new blood supply is introduced to the repair site to improve the outcome of urethral repair or anastomotic urethroplasty. The surface contact between the muscle flap and the repair site is enhanced by the use of fibrin glue to improve adherence and promote inosculation and healing. We employed this technique in 4 patients with different urethral defects.

Results After a follow-up period of 32 to 108 months, all of the urethral repairs were successful without complications.

Conclusions Our results suggest that the use of a gracilis muscle flap to vascularise urethral repairs can improve the outcome of challenging urethral repairs.
Poređenje rezultata skrininga hronične bolesti bubrega u neendemskom i endemskom naselju
Authors: Lukić Ljiljana , Vasilić Zoran , Trifunović Danijela , Gajić Milan
Published: September 2013

Uvod. U radu su prikazani rezultati skrininga hronične bolesti bubrega sprovedenih u Foči i endemskom selu Brodac (Bijeljina). Poređenje dobijenih rezultata urađeno je sa ciljem da se utvrdi učestalost faktora rizika za bolesti bubrega i učestalost markera bubrežnog oštećenja u zavisnosti od prisutnih faktora rizika. Metode. Skriningom je obuhvaćeno 449 osoba iz Foče (180 muškaraca, starosti 56,5±17,9 godina) i 402 osobe iz Broca (182 muškaraca, starosti 50,6±16,6 godina). Od svih ispitanika su anketom dobijeni osnovni podaci, lična i porodična anamneza i podaci o faktorima rizika za bolesti bubrega. Svima je izmjeren krvni pritisak i urađen pregled urina test trakama. Rezultati. Faktori rizika za hroničnu bolest bubrega bili su značajno češće zastupljeni u grupi ispitanika iz Foče u odnosu na one iz Broca: hipertenzija – 52,3% vs. 36,6%; dijabetes – 12,7% vs. 8,4%; broj osoba starijih od 60 godina u ispitivanoj grupi – 47,4% vs. 33,3%; korišćenje analgetika – 28,3% vs. 21,7% i pozitivna lična anamneza o prethodnoj bolesti bubrega – 21,8% vs. 9,8%. Porodična opterećenost endemskom nefropatijom zabilježena je samo kod bolesnika iz Broca (21,9%). Proteinurija (4,2% vs. 4,3%) i glikozurija (2,4% vs. 1,7%) su bile podjednako učestale kod ispitanika iz Foče i Broca, dok je hematurija (7,3% vs. 1,2%; p=0,0001) bila češća kod stanovnika Foče. Mnogi od ispitanika su imali više od jednog faktora rizika, a učestalost proteinurije se značajno povećavala sa brojem faktora rizika. Zaključak. Visoka opterećenost faktorima rizika za hroničnu bolest bubrega otkrivena je u obje ispitivane grupe ali značajno više kod ispitanika iz Foče. Više od jednog faktora rizika imalo je 71,2% ispitnika, a učestalost proteinurije se značajno povećavala sa povećanjem broja faktora rizika.
Crystal structures of the CPAP/STIL complex reveal its role in centriole assembly and human microcephaly
Authors: Cottee Matthew A , Muschalik Nadine , Wong Yao Liang , Johnson Christopher M , Johnson Steven , Andreeva Antonina , Oegema Karen , Lea Susan M , Raff Jordan W , van Breugel Mark
Published: September 2013

Centrioles organise centrosomes and template cilia and flagella. Several centriole and centrosome proteins have been linked to microcephaly (MCPH), a neuro-developmental disease associated with small brain size. CPAP (MCPH6) and STIL (MCPH7) are required for centriole assembly, but it is unclear how mutations in them lead to microcephaly. We show that the TCP domain of CPAP constitutes a novel proline recognition domain that forms a 1:1 complex with a short, highly conserved target motif in STIL. Crystal structures of this complex reveal an unusual, all-β structure adopted by the TCP domain and explain how a microcephaly mutation in CPAP compromises complex formation. Through point mutations, we demonstrate that complex formation is essential for centriole duplication in vivo. Our studies provide the first structural insight into how the malfunction of centriole proteins results in human disease and also reveal that the CPAP–STIL interaction constitutes a conserved key step in centriole biogenesis.
The antigenic switching network of Plasmodium falciparum and its implications for the immuno-epidemiology of malaria
Authors: Noble Robert , Christodoulou Zóe , Kyes Sue , Pinches Robert , Newbold Chris I , Recker Mario
Published: September 2013

Antigenic variation in the human malaria parasite Plasmodium falciparum involves sequential and mutually exclusive expression of members of the var multi-gene family and appears to follow a non-random pattern. In this study, using a detailed in vitro gene transcription analysis of the culture-adapted HB3 strain of P. falciparum, we show that antigenic switching is governed by a global activation hierarchy favouring short and highly diverse genes in central chromosomal location. Longer and more conserved genes, which have previously been associated with severe infection in immunologically naive hosts, are rarely activated, however, implying an in vivo fitness advantage possibly through adhesion-dependent survival rates. We further show that a gene’s activation rate is positively associated sequence diversity, which could offer important new insights into the evolution and maintenance of antigenic diversity in P. falciparum malaria.
Lipoprotein(a) and Calcific Aortic Valve Stenosis Progression
Authors: Arsenault Benoit J. , Loganath Krithika , Girard Arnaud , Botezatu Simona , Zheng Kang H. , Tzolos Evangelos , Abdoun Kathia , Tastet Lionel , Capoulade Romain , Côté Nancy , Craig Neil , Chan Kwan L. , Tam James W. , Teo Koon K. , Couture Christian , Clavel Marie-Annick , Mathieu Patrick , Thériault Sébastien , Stroes Erik S. G. , Newby David E. , Tsimikas Sotirios , Pibarot Philippe , Dweck Marc R.
Published: July 2024

Importance

There are currently no pharmacological treatments available to slow hemodynamic progression of aortic stenosis. Plasma lipoprotein(a) concentrations predict incident aortic stenosis but its association with hemodynamic progression is controversial.

Objective

To determine the association between plasma lipoprotein(a) concentrations and hemodynamic progression in patients with aortic stenosis.

Design, Settings and Participants

The study included patients with aortic stenosis from 5 longitudinal clinical studies conducted from March 2001 to March 2023 in Canada and the UK. Of 757 total patients, data on plasma lipoprotein(a) concentrations and rates of hemodynamic progression assessed by echocardiography were available for 710, who were included in this analysis. Data were analyzed from March 2023 to April 2024.

Exposure

Cohort-specific plasma lipoprotein(a) concentration tertiles.

Main Outcomes and Measures

Hemodynamic aortic stenosis progression on echocardiography as assessed by annualized change in peak aortic jet velocity, mean transvalvular gradient, and aortic valve area.

Results

Among the included patients, 497 (70%) were male and 213 (30%) were female. The mean (SD) age was 65.2 (13.1) years. Patients in the top lipoprotein(a) tertile demonstrated 41% (estimate, 1.41; 95% CI, 1.13-1.75) faster progression of peak aortic jet velocity and 57% (estimate, 1.57; 95% CI, 1.18-2.10) faster progression of mean transvalvular gradient than patients in the bottom tertile. There was no evidence of heterogeneity across the individual cohorts. Progression of aortic valve area was comparable between groups (estimate, 1.23; 95% CI, 0.71-2.12). Similar results were observed when plasma lipoprotein(a) concentrations were treated as a continuous variable.

Conclusions and Relevance

In this study, higher plasma lipoprotein(a) concentrations were associated with faster rates of hemodynamic progression in patients with aortic stenosis. Lowering plasma lipoprotein(a) concentrations warrants further investigation in the prevention and treatment of aortic stenosis.
Sodium-Dependent Multivitamin Transporter Deficiency
Authors: Jiang Xingyuan , Wang Huijun , Lin Zhimiao
Published: July 2024

This case report describes a 3-year-old girl who presented with progressive pruritic, palmoplantar plaques, and periorifical exudative erythema who experienced hair loss, recurrent episodes of pneumonia, and transient thrombocytopenia.
Medical Debt and the Mental Health Treatment Gap Among US Adults
Authors: Moon Kyle J. , Linton Sabriya L. , Mojtabai Ramin
Published: July 2024

Importance

Medical debt is common in the US and may hinder timely access to care for mental disorders.

Objective

To estimate the prevalence of medical debt among US adults with depression and anxiety and its association with delayed and forgone mental health care.

Design, Setting, and Participants

Cross-sectional, nationally representative survey study of US adult participants in the 2022 National Health Interview Survey who had current or lifetime diagnoses of depression or anxiety.

Exposures

Self-reported lifetime clinical diagnoses of depression and anxiety; moderate to severe symptoms of current depression (Patient Health Questionnaire–8 score ≥10) and anxiety (Generalized Anxiety Disorder–7 score ≥10) irrespective of lifetime diagnoses; and past-year medical debt.

Main Outcomes and Measures

Self-reported delaying and forgoing mental health care because of cost in the past year.

Results

Among 27 651 adults (15 050 [54.4%] female; mean [SD] age, 52.9 [18.4] years), 5186 (18.2%) reported lifetime depression, 1948 (7.3%) reported current depression, 4834 (17.7%) reported lifetime anxiety, and 1689 (6.6%) reported current anxiety. Medical debt was more common among adults with lifetime depression (19.9% vs 8.6%; adjusted prevalence ratio [aPR], 1.97; 95% CI, 1.96-1.98), lifetime anxiety (19.4% vs 8.8%; aPR, 1.91; 95% CI, 1.91-1.92), current depression (27.3% vs 9.4%; aPR, 2.34; 95% CI, 2.34-2.36), and current anxiety (26.2% vs 9.6%; aPR, 2.24; 95% CI, 2.24-2.26) compared with adults without the respective mental disorders. Medical debt was associated with delayed health care among adults with lifetime depression (29.0% vs 11.6%; aPR, 2.68; 95% CI, 2.62-2.74), lifetime anxiety (28.0% vs 11.5%; aPR, 2.45; 95% CI, 2.40-2.50), current depression (36.9% vs 17.4%; aPR, 2.25; 95% CI, 2.13-2.38), and current anxiety (38.4% vs 16.9%; aPR, 2.48; 95% CI, 2.35-2.66) compared with those without these diagnoses. Medical debt was associated with forgone health care among adults with lifetime depression (29.4% vs 10.6%; aPR, 2.66; 95% CI, 2.61-2.71), lifetime anxiety (28.2% vs 10.7%; aPR, 2.63; 95% CI, 2.57-2.68), current depression (38.0% vs 17.2%; aPR, 2.35; 95% CI, 2.23-2.48), and current anxiety (40.8% vs 17.1%; aPR, 2.57; 95% CI, 2.43-2.75) compared with those without the diagnoses.

Conclusions and Relevance

Medical debt is prevalent among adults with depression and anxiety and may contribute to the mental health treatment gap. In the absence of structural reform, new policies are warranted to protect against this financial barrier to mental health care.
Hospice Enrollment and Central Nervous System–Active Medication Prescribing to Medicare Decedents with Dementia
Authors: Gerlach Lauren B. , Zhang Lan , Teno Joan , Maust Donovan T.
Published: July 2024

This study explores the extent to which hospice enrollment is associated with CNS–active medication exposure among Medicare decedents with Alzheimer disease and related dementias.
Partial Heart Transplant in Congenital Cardiac Surgery
Authors: Rajab Taufiek Konrad , Vogel Andrew David , Turek Joseph William
Published: July 2024

This Surgical Innovation outlines the advantages of performing a partial transplant to deliver growing heart valve implants in newborn babies.
1‐(1‐Diazo‐2,2,2‐Trifluoroethyl)‐1,2‐Benziodoxol‐3(1
H
)‐One
Authors: Vinet Laurent
Published: July 2024

image

[2209891‐87‐0]

C
9
H
4
F
3
IN
2
O
2

(MW 356.04)

InChI = 
1S/C9H5F3IN2O2/c10‐9(11,12)8(15‐14)13‐6‐4‐2‐1‐3‐5(6)7(16)17‐13/h1‐4,14H/q+1

InChIKey = 
GDZYWAHOHOTWJD‐UHFFFAOYSA‐N

(reagent used to generate trifluoroethylcarbyne)

Physical Data
: mp 146–147 °C, d 2.0201 g cm
−3
.

1

Solubility
: soluble in CH
3
CN, CH
2
Cl
2
, CHCl
3
, DMSO, and ClCH
2
CH
2
Cl.

2

Analysis of Reagent Purity
:
1
H NMR (400 MHz, CD
3
CN) δ 8.20 (dd,
J
 = 7.4 and 1.7 Hz, 1
H
), 8.03 (dd,
J
 = 8.3 and 0.9 Hz, 1
H
), 7.87 (ddd,
J
 = 8.3, 7.2, and 1.7 Hz, 1
H
), and 7.78 (td,
J
 = 7.3 and 1.0 Hz, 1
H
) ppm; and singlet in
19
F NMR at δ −54.41 ppm. IR (film, cm
−1
) 3068, 2358, 2094, 1653, 1290, 1263, and 1120.

1,2

Preparative Methods
: addition of trimethylsilyl trifluoromethanesulfonate to 1‐acetoxy‐1,2‐benziodoxol‐3(1
H
)‐one at 24 °C, followed by the addition of pyridine and finally slow addition of a solution of 2,2,2‐trifluorodiazoethane.

1,2

Purification
: recrystallization using a mixture of diethyl ether and dichloromethane in a 5:1 ratio.

1,2

Handling, Storage, and Precautions
: the reagent should be kept tightly closed and stored at −24 °C.

1,2
N
‐Sulfinyltriisopropylsilylamine
Authors: Ding Mingyan , Willis Michael
Published: July 2024

image

[2762957‐87‐7]

C
9
H
21
NOSSi

(MW 219.4)

InChI = 
1S/C9H21NOSSi/c1‐7(2)13(8(3)4,9(5)6)10‐12‐11/h7‐9H,1‐6H3

InChIKey = 
ZJJCFIWQFNLRFK‐UHFFFAOYSA‐N

(used as a sulfinamidation or a sulfinamidination reagent for the synthesis of aza‐sulfur compounds)

Alternative Names
: triisopropylsilyl sulfinamine, ((triisopropylsilyl)imino)‐λ
4
‐sulfanone, TIPS
‐
NSO.

Physical Data
: unknown.

Solubility
: miscible with common organic solvents including THF, Et
2
O, CH
2
Cl
2
, CHCl
3
, MeCN, toluene, and benzene.

Form Supplied in
: light‐yellow liquid, commercially available.

Analysis of Reagent Purity
: spectroscopic data: IR, NMR (
1
H,
13
C).

1

Preparative Method
: TIPS
‐
NSO is prepared from dropwise addition of SOCl
2
to TIPS‐NH
2
in the presence of Et
3
N at 0 °C in anhydrous Et
2
O. After stirring the reaction for 2 h, the solid Et
3
N·HCl salt is removed by filtration through a pad of anhydrous Na
2
SO
4
and the removal of the solvent in vacuo affords TIPS‐NSO.

1

Purification
: none required.

Handling, Storage, and Precautions
: TIPS
‐
NSO may be slightly volatile. For this reason, when removing solvent on a rotary evaporator, the bath temperature should be set to 30 °C or lower. For long‐term storage, it is kept at −20 °C in a freezer under an inert atmosphere. Hydrolysis of TIPS‐NSO can potentially result in the evolution of toxic SO
2
.
(2
R
,3a
R
,6
S
,7a
R
)‐3a‐Methyl‐2‐((perfluorophenyl)thio)‐6‐(prop‐1‐en‐2‐yl)hexahydrobenzo[
d
][1,3,2]oxathiaphosphole 2‐Sulfide
Authors: Schmidt Michael A.
Published: July 2024

image

[2245335‐71‐9]

C
16
H
16
F
5
OPS
3

(MW 446.4488)

InChI = 
1S/C16H16F5OPS3/c1‐7(2)8‐4‐5‐16(3)9(6‐8)22‐23(24,26‐16)25‐15‐13(20)11(18)10(17)12(19)14(15)21/h8‐9H,1,4‐6H2,2‐3H3/t8‐,9?,16+,23‐/m0/s1

InChIKey = 
YPYCUYPOHPPYAS‐KUDWSVNUSA‐N

[2245335‐70‐8]

C
16
H
16
F
5
OPS
3

(MW 446.4488) Enantiomer

InChI = 
1S/C16H16F5OPS3/c1‐7(2)8‐4‐5‐16(3)9(6‐8)22‐23(24,26‐16)25‐15‐13(20)11(18)10(17)12(19)14(15)21/h8‐9H,1,4‐6H2,2‐3H3/t8‐,9?,16+,23+/m1/s1

InChIKey = 
YPYCUYPOHPPYAS‐DPZXBIMTSA‐N

(reagent used for the creation of stereopure thiophosphate bonds

1

)

Alternative Names
: PSI (Phosphorous Sulfur Incorporation), (+)‐PSI or (+)‐Ψ for
2245335‐71‐9
and (−)‐PSI or (−)‐Ψ for
2245335‐70‐8
.

Physical Data
: mp 110 °C; [α]
D
20
 = 242 (
c
 = 0.5, CH
2
Cl
2
) for 2245335‐71‐9 and [α]
D
20
 = −253 (
c
 = 0.5, CH
2
Cl
2
) for 2245335‐70‐8.

Solubility
: soluble in acetonitrile, dichloromethane, and tetrahydrofuran. Insoluble in water, methanol, hexanes, and heptane.

Form Supplied in
: white crystals. Stored at ambient conditions. Commercially available.

Analysis of Reagent Purity
: nuclear magnetic resonance spectroscopy.

1,2

31
P (CDCl
3
) = δ 100 ppm. Enantiopurity is best assessed by High‐Performance Liquid Chromatography (HPLC).

1

Preparative Method
: all reagents in the PSI family are derived in a one‐step reaction between a phosphorus salt and an epoxide. The product is crystallized from the reaction mixture, then recrystallized.

1,2

Handling, Storage, and Precautions
: the reagents are stable and can be stored at 0 °C to ambient temperatures. They do not show any hygroscopicity nor aerial oxidation in the solid state. The compounds rapidly decompose in the presence of aqueous base.
2,2,2‐Trifluoroacetaldehyde
O
‐(Aryl)oxime
Authors: Lin Bo , Huang Yangjie , Weng Zhiqiang
Published: July 2024

image

[2643982‐16‐3]

C
8
H
4
F
3
N
3
O
5

(MW 279.0103)

InChI = 
1S/C8H4F3N3O5/c9‐8(10,11)4‐12‐19‐7‐2‐1‐5(13(15)16)3‐6(7)14(17)18/h1‐4H/b12‐4+

InChIKey = 
CVORTHGODGTDLP‐UUILKARUSA‐N

image

[2643982‐19‐6]

C
9
H
5
F
3
N
2
O

(MW 214.0354)

InChI = 
1S/C9H5F3N2O/c10‐9(11,12)6‐14‐15‐8‐3‐1‐7(5‐13)2‐4‐8/h1‐4,6H/b14‐6+

InChIKey = 
POTWGQGQHPHXHB‐MKMNVTDBSA‐N

(precursors for trifluoroacetonitrile)

Solubility
: CH
2
Cl
2
, CHCl
3
, CH
3
CN, DMF, dimethyl sulfoxide (DMSO), tetrahydrofuran (THF), and
N
‐methyl 2‐pyrrolidone (NMP).

Form Supplied in
: white solid; commercially available from Leyan Reagent Co., Ltd.

Preparative Method
: prepared from a condensation reaction of trifluoroacetaldehyde hydrate with
O
‐(aryl)hydroxylamine under acid condition.

1

Handling, Storage, and Precautions
: it is known that trifluoroacetonitrile is a highly toxic gas (boiling point −64 °C) and must be handled with care. Rapid evolution of CF
3
CN gas will occur when this reagent reacts with a base. All operations were performed in the fume hood in good condition.
4‐Chloro‐(11b)‐dinaphtho[2,1‐d:1′,2′‐f][1,3,2]dioxaphosphepin‐4‐selenide
Authors: Murai Toshiaki
Published: July 2024

image

[863024‐69‐5]

C
20
H
12
ClO
2
PSe

(MW 429.71)

InChI = 
1S/C20H12ClO2PSe/c21‐24(25)22‐17‐11‐9‐13‐5‐1‐3‐7‐15(13)19(17)20‐16‐8‐4‐2‐6‐14(16)10‐12‐18(20)23‐24/h1‐12H

InChIKey = 
WZQNXJRLUUZRMH‐UHFFFAOYSA‐N

4‐Chloro‐(11b
R
)‐dinaphtho[2,1‐d:1′,2′‐f][1,3,2]dioxaphosphepin‐4‐selenide

image

[863024‐82‐2]

C
20
H
12
ClO
2
PSe

(MW 429.71)

InChI = 
1S/C20H12ClO2PSe/c21‐24(25)22‐17‐11‐9‐13‐5‐1‐3‐7‐15(13)19(17)20‐16‐8‐4‐2‐6‐14(16)10‐12‐18(20)23‐24/h1‐12H

InChIKey = 
WZQNXJRLUUZRMH‐UHFFFAOYSA‐N

4‐Chloro‐(11b
S
)‐dinaphtho[2,1‐d:1′,2′‐f][1,3,2]dioxaphosphepin‐4‐selenide

Physical Data
: white solid; mp 240–241 °C.

Solubility
: stably soluble in aprotic organic solvents.

Form Supplied in
: not commercially available.

Analysis of Reagent Purity
: IR (KBr): 3006, 1588, 1509, 1460, 1433, 1355, 1214, 1190, 1157, 1142, 1067, 969, 946, 868, 840, 806, 769, 749, 705, and 652 cm
−1
;
1
H NMR (CDCl
3
): d 7.22–8.32 (m, 12
H
, C
20
H
12
);
13
C NMR (CDCl
3
): d 120.4, 121.1, 122.4, 122.6, 126.3, 126.9, 127.0, 127.1, 127.2, 128.7, 131.3, 131.4, 132.0, 132.2, 132.3, 132.5, 146.5, 146.6, 147.8, and 148.0 (Ar);
31
P NMR (CDCl
3
): d 69.0 (
1
J
P‐Se
 = 1060.9 Hz);
77
Se NMR (CDCl
3
): δ −69.2 (d,
1
J
P‐Se
 = 1060.9 Hz).

Preparative Method
: phosphorus trichloride in toluene solution was treated with triethylamine, (
R
ax
)‐1,1′‐bi‐2‐naphthol (8.58 g, 30 mmol), and powdered selenium.

1,2

Purification
: purified by column chromatography on silica gel with hexane:CH
2
Cl
2
as the eluent.

Handling, Storage, and Precautions
: the product can be stored for long periods below room temperature under an inert gas atmosphere. In some cases, the product exhibits pink color, which is indicative of the contamination of amorphous selenium, but it can be used for further reaction. Additionally, it gradually hydrolyzes on exposure to moisture in the air. Incompatible with strong acids, strong bases, oxidizing, and reducing agents.
N
‐Sulfinyltrimethylsilylamine
Authors: Ding Mingyan , Willis Michael
Published: July 2024

image

[7522‐26‐1]

C
3
H
9
NOSSi

(MW 135.3)

InChI = 
1S/C3H9NOSSi/c1‐7(2,3)4‐6‐5/h1‐3H3

InChIKey = 
RFMSRGPUQNDFNS‐UHFFFAOYSA‐N

(used as a sulfurdiimidation, sulfinamidation, or sulfinylamination reagent for the synthesis of aza‐sulfur compounds, as a dienophile in Diels–Alder reactions, and as a dipolarophile in (3 + 2) cycloadditions)

Alternative Names
: 1,1,1‐trimethyl‐
N
‐sulfinylsilanamine, silylamine, 1,1,1‐trimethyl‐
N
‐sulfinyl‐, (sulfinylamino)trimethylsilane, (trimethylsilyl)sulfinylamine, (trimethylsilyl)sulfinylimide, 1,1,1‐trimethyl‐
N
‐sulfinylsilylamine,
N
‐(trimethylsilyl)sulfinylimide,
N
‐trimethylsilylsulfinylimine,
N
‐sulfinyl trimethylsilanamine, ((trimethylsilyl)imino)‐λ
4
‐sulfanone, and TMS‐NSO.

Physical Data
: mp −78 °C,

1

bp 108–110 °C (760 mmHg),

1

and  = 1.4258.

2

Solubility
: miscible with common organic solvents including THF, Et
2
O, CH
2
Cl
2
, CHCl
3
, toluene, and benzene.

Form Supplied in
: colorless liquid; commercially available.

Analysis of Reagent Purity
: spectroscopic data: IR,

1,3

Raman,

3

NMR (
1
H,
13
C,
14
N,
17
O,
29
Si),

3

and mass spectra.

1,3

Preparative Method
: TMS‐NSO is prepared from the reaction of (SiMe
3
)
3
N and SOCl
2
in anhydrous CH
2
Cl
2
at room temperature for 20 h,

4

or from PhSNSO by heating with Me
3
SiSPh at 100 °C for 1 h.

2

Distillation then affords TMS‐NSO.

Purification
: distillation.

Handling, Storage, and Precautions
: TMS‐NSO is sensitive to moisture and air, and its use after storage is challenging.
4‐Nitrophenyl(2,2,6,6‐tetramethylpiperidin‐1‐yl)carbonate
Authors: Wipf Peter , Wu Hongdi
Published: July 2024

image

[2247828‐39‐1]

C
16
H
22
N
2
O
5

(MW 322.36)

InChI = 
1S/C16H22N2O5/c1‐15(2)10‐5‐11‐16(3,4)18(15)23‐14(19)22‐13‐8‐6‐12(7‐9‐13)17(20)21/h6‐9H,5,10‐11H2,1‐4H3

InChIKey = 
BLPUJYUQJJCBHB‐UHFFFAOYSA‐N

(a reagent for the reversible introduction of the 2,2,6,6‐tetramethylpiperidinyloxycarbonyl (“Tempoc”) group at nucleophilic sites

1

)

Alternative Names
: carbonic acid, 4‐nitrophenyl 2,2,6,6‐tetramethyl‐1‐piperidinyl ester; NPTC.

Physical Data
: colorless solid; mp 137–139 °C (dec.).

1

Solubility
: sol CH
2
Cl
2
, CHCl
3
, THF, hexane, acetonitrile, acetone, and DMF, among others.

Form Supplied in
: commercial >95% (NMR, LC‐MS) and solid.

1

Preparative Methods
: 4‐nitrophenyl(2,2,6,6‐tetramethylpiperidin‐1‐yl)carbonate (NPTC,
1
) can be prepared from 2,2,6,6‐tetramethylpiperidin‐1‐yl)oxyl (TEMPO) by in situ reduction with ascorbic acid to 2,2,6,6‐tetramethylpiperidin‐1‐ol followed by coupling with 4‐nitrophenyl chloroformate in high yield.

1

The reagent has been reported to be stable at rt.

1,2

Purification
: crystallization and chromatography on silica.

1

Handling, Storage, and Precautions
: anhydrous conditions and storage at 2–8 °C are recommended. Differential scanning calorimetry (DSC) analysis demonstrated an exotherm of 70 cal g
−1
at an onset temperature of 135 °C.

2
Zirconium Tetrachloride
Authors: Gundersen Lise‐Lotte , Rise Frode , Undheim Kjell , Le Huérou Yvan , Singh Ritu , Albers Sanne L. , Streuff Jan
Published: July 2024

image

[

10026‐11‐6

]

Cl
4
Zr

(MW 233.02)

InChI = 
1S/4ClH.Zr/h4*1H;/q;;;;+4/p‐4

InChIKey = 
DUNKXUFBGCUVQW‐UHFFFAOYSA‐J

(Lewis acid)

Physical Data
: subl. 331 °C, mp 437 °C/25 atm;
d
2.803 g cm
−3
.

Solubility
: sol alcohol, ether.

Form Supplied in
: white solid; widely available.

Purification
: crystallize repeatedly from conc hydrochloric acid.

Handling, Storage, and Precautions
: extremely hygroscopic; decomposed by water to ZrOCl
2
and HCl. Reagent causes burns, and is harmful if inhaled or swallowed or if it comes in contact with skin. It is stable at high temperatures under N
2
, H
2
, or O
2
. Use in a fume hood.
Teaching of Pragmatics
Authors: Bardovi‐Harlig Kathleen
Published: July 2024

Pragmatics—the rules of how to say what to whom, when, and in what context—is often not included in second or foreign language classrooms, leaving learners without preparation for everyday interactions in the target language. This entry reviews potential obstacles to teaching pragmatics and suggests ways to overcome them. One major obstacle is that information about pragmatics is rarely found in commercial textbooks, either as input (as examples or models) or as explanations of language use or what might be expected in the target culture. However, some materials have been developed for teaching pragmatics, but they are still largely limited to the professional development literature. The entry concludes by suggesting what teachers can do to develop materials and activities, and how they can be shared with other teachers in order to promote curricular innovation.
Teachers' Competencies for Multilingual Foreign Language Classrooms
Authors: Angelovska Tanja
Published: July 2024

Being multilingual is no longer the exception but rather the norm in today's diverse language‐learning classrooms where learners are quite likely to learn other foreign languages while simultaneously acquiring the institutional language of the community. The English as a foreign language classroom (EFL) needs to represent a platform that helps to raise multilingual awareness whereby the remaining languages (home and foreign) of the learners are not neglected. Although there is a growing body of research on multilingualism, the practical application of theoretical findings and/or professional development initiatives has not yet fully found its way into regular classroom practices. Mixed results of the effects of professional development training on multilingual practices for the classroom lead to a discussion about the teachers' competencies and associated factors for and in the multilingual classroom, as well as the potential and risk as seen through teachers' lenses. Finally, future recommendations are outlined for teaching practices in multilingual foreign‐language‐learning classrooms.
Translation and Language Teaching
Authors: Bader Monika
Published: July 2024

Translation has played a controversial role in language teaching for many decades. However, recent calls for reassessment of translation as a potentially valuable pedagogical resource have generated considerable interest among scholars and practitioners. This entry reviews some of the reasons for the initial rejection of translation in language pedagogy before outlining the key considerations that sparked its recent revival. Subsequently, a range of practical applications of translation in the language classroom are discussed, emerging from novel conceptualizations of translation that are currently being explored. Translation is now not only seen as compatible with a focus on developing communicative competence but, for many, translation is viewed as one of the skills that communicatively competent users need to master.
Controllable Growth of Crystal Facets Enables Superb Cycling Stability of Anode Material for Potassium Ion Batteries
Authors: Wang Lu , Li Yi , Wang Bin , Jing Zhongxin , Chen Ming , Zhai Yanjun , Kong Zhen , Iqbal Sikandar , Zeng Suyuan , Sun Xiuping , Chen Yanpeng , Dou Jianmin , Xu Liqiang
Published: July 2024

To enrich the crystal growth strategies for the booming applications concerning lattice structure, a preferred facet‐growth method is proposed for solvothermal synthesis of target (BiO)2CO3 in the two‐phase system. The dominant crystal phase can be regulated from α‐Fe2O3 to (BiO)2CO3 by properly increasing dosage of Bi feedstock, and the optimized composite is composed of (BiO)2CO3 nanocrystal (≈10 nm) and amorphous iron oxide (defined as “FOB‐50”). Based on experimental characterizations and theoretical calculations, the highly matched lattice between (006)/(0012) facets of α‐Fe2O3 and {010} facet group of (BiO)2CO3 involving orientation of Fe─O─Fe bond and Bi─O─Bi bond is verified to facilitate the interaction between the above facets, resulting in preferred growth of {010} dominated by (040) facet in (BiO)2CO3 and its composites. The structural merits can not only enable the FOB‐50‐based electrodes to achieve a high capacity and unprecedentedly stable cyclic performances for 1500 cycles/a long time‐span of 32 months as anode materials, but also ensure the full‐cell to well inherit the electrochemical features of the cathode in potassium ion batteries (PIBs). This work can provide new insight into lattice regulation for bismuth‐based materials and expand their application as electrodes for high performance PIBs and lithium ion batteries.
Hypervalent Iodine (III)‐Based Complexation for Chiroptical Supramolecular Glass, Deep Eutectic Solvent and Luminescent Switch
Authors: An Shuguo , Hao Aiyou , Xing Pengyao
Published: July 2024

Hypervalent iodine(III) have widely been utilized for organic synthetic reagents. They are also recognized as positive charge‐assisted, exceptionally robust biaxial halogen bond donors, while their potential in supramolecular materials is barely explored. This work reports a cyclic diaryliodonium ion as biaxial halogen bonding donor that displays remarkable binding affinity toward phenanthroline or acridine acceptors with chiral pendants. Biaxial halogen bonding enables chiroptical evolution in solution, allowing for rational control over supramolecular chirality. Leveraging their strong binding affinity, the halogen bonding complexes manifested amorphous properties and deep eutectic behavior in the solid state. Capitalizing on these attributes, this work achieves the successful preparation of supramolecular glasses and deep eutectic solvents. Additionally, halogen bonding appended light irradiation‐triggered luminescence through a hydrogen atom transfer process, showing applications in anti‐counterfeit and display.
Manipulating Alkyl Inner Side Chain of Acceptor for Efficient As‐Cast Organic Solar Cells
Authors: Zhang Bao , Jiang Mengyun , Mao Peng , Wang Shanshan , Gui Ruohua , Wang Yingqi , Woo Han Young , Yin Hang , Wang Jin‐Liang , An Qiaoshi
Published: July 2024

As‐cast organic solar cells (OSCs) possess tremendous potential for low‐cost commercial applications. Herein, five small‐molecule acceptors (A1–A5) are designed and synthesized by selectively and elaborately extending the alkyl inner side chain flanking on the pyrrole motif to prepare efficient as‐cast devices. As the extension of the alkyl chain, the absorption spectra of the films are gradually blue‐shifted from A1 to A5 along with slightly uplifted lowest unoccupied molecular orbital energy levels, which is conducive for optimizing the trade‐off between short‐circuit current density and open‐circuit voltage of the devices. Moreover, a longer alkyl chain improves compatibility between the acceptor and donor. The in situ technique clarifies that good compatibility will prolong molecular assembly time and assist in the preferential formation of the donor phase, where the acceptor precipitates in the framework formed by the donor. The corresponding film‐formation dynamics facilitate the realization of favorable film morphology with a suitable fibrillar structure, molecular stacking, and vertical phase separation, resulting in an incremental fill factor from A1 to A5‐based devices. Consequently, the A3‐based as‐cast OSCs achieve a top‐ranked efficiency of 18.29%. This work proposes an ingenious strategy to manipulate intermolecular interactions and control the film‐formation process for constructing high‐performance as‐cast devices.
Self‐Assembled Colloidal Photonic Structures for Directional Radioluminescence of Gd and Ta Oxide Scintillators
Authors: Strassberg Rotem , Nakanishi Akihiro , Shamaev Betty , Katznelson Shaul , Schuetz Roman , Dosovitskiy Georgy , Levy Shai , Be'er Orr , Shaek Saar , Onoe Tomoya , Maekawa Taiki , Hayakawa Rino , Tsuji Kazuma , Murai Kei‐ichiro , Moriga Toshihiro , Bekenstein Yehonadav
Published: July 2024

Radiation detection is being revolutionized by integrating photonic elements into scintillators. In this study, a scalable and cost‐effective method is proposed to achieve tuneable emission enhancement across the visible spectrum by colloidal self‐assembly of photonic crystals on scintillator surfaces. This concept is demonstrated for Eu3+/Tb3+‐doped Gd and Ta oxides. Widely available and affordable colloidal nanospheres of SiO2 or polymethyl methacrylate are self‐assembled on these scintillators. The size of the nanospheres is carefully optimized to match the desired emission lines of Eu3+/Tb3+. The result is homogeneous and closely‐packed structures with clear photonic bandgap in the visible range. Under X‐ray excitation, the scintillators covered with the photonic layers exhibit enhanced light extraction in the direction perpendicular to the surface, compared to isotropic emission in the bare scintillator. Such scintillation directionality, when optically matched with a proper detector, will result in higher efficiency of the overall detection system. Moreover, X‐ray imaging demonstrates an enhancement of 25% in system resolution of the scintillator supplemented with the photonic layer compared to unmodified scintillators. The proposed method is scintillator‐ and nanosphere‐agnostic, thus offering a promising versatile approach for directing the scintillation light toward a photodetector and increasing detection system performance, including high‐resolution imaging applications.
Integrated Lactylome Characterization Reveals the Molecular Dynamics of Protein Regulation in Gastrointestinal Cancers
Authors: Duan Yangmiao , Zhan Hanxiang , Wang Qin , Li Bohao , Gao Huiru , Liu Duanrui , Xu Qinchen , Gao Xin , Liu Zhenya , Gao Peng , Wei Guangwei , Wang Yunshan
Published: July 2024

Lysine lactylation (Kla) plays a vital role in several physiological processes. However, the cancer‐specific modulation of Kla in gastrointestinal (GI) tumors requires systematic elucidation. Here, global lactylome profiling of cancerous and adjacent tissues is conducted from 40 patients with GI cancer and identified 11698 Kla sites. Lactylome integration revealed that Kla affects proteins involved in hallmark cancer processes, including epigenetic rewiring, metabolic perturbations, and genome instability. Moreover, the study revealed pan‐cancer patterns of Kla alterations, among which 37 Kla sites are consistently upregulated in all four GI cancers and are involved in gene regulation. It is further verified that lactylation of CBX3 at K10 mediates its interaction of CBX3 with the epigenetic marker H3K9me3 and facilitates GI cancer progression. Overall, this study provides an invaluable resource for understanding the lactylome landscape in GI cancers, which may provide new paths for drug discovery for these devastating diseases.
Catalytic Enantioselective Synthesis of Axially Chiral Diaryl Ethers Via Asymmetric Povarov Reaction Enabled Desymmetrization
Authors: Ye Zidan , Xie Wansen , Liu Wei , Zhou Changyu , Yang Xiaoyu
Published: July 2024

Axially chiral diaryl ethers represent a distinct class of atropisomers, characterized by a unique dual C─O axes system, which have been found in a variety of natural products, pharmaceuticals, and ligands. However, the catalytic enantioselective synthesis of these atropoisomers poses significant challenges, due to the difficulty in controlling both chiral C─O axes, and their more flexible conformations. Herein, an efficient protocol for catalytic enantioselective synthesis of axially chiral diaryl ethers is presented using organocatalyzed asymmetric Povarov reaction‐enabled desymmetrization, followed by aromatizations. This method yields a wide range of novel quinoline‐based diaryl ether atropoisomers in good yields and high enantioselectivities. Notably, various aromatization protocols are developed, resulting in a diverse set of polysubstituted quinoline‐containing diaryl ether atropisomers. Thermal racemization studies suggested excellent configurational stabilities for these novel diaryl ether atropisomers (with racemization barriers up to 38.1 kcal mol−1). Moreover, this research demonstrates for the first time that diaryl ether atropisomers lacking the bulky t‐Bu group can still maintain a stable configuration, challenging the prior knowledge in the field. The fruitful derivatizations of the functional group‐rich chiral products further underscore the value of this method.
CCDC68 Maintains Mitotic Checkpoint Activation by Promoting CDC20 Integration into the MCC
Authors: Li Qi , Chen Qingzhou , Zheng Tao , Wang Fulin , Teng Junlin , Zhou Haining , Chen Jianguo
Published: July 2024

The spindle assembly checkpoint (SAC) ensures chromosome segregation fidelity by manipulating unattached kinetochore‐dependent assembly of the mitotic checkpoint complex (MCC). The MCC binds to and inhibits the anaphase promoting complex/cyclosome (APC/C) to postpone mitotic exit. However, the mechanism by which unattached kinetochores mediate MCC formation is not yet fully understood. Here, it is shown that CCDC68 is an outer kinetochore protein that preferentially localizes to unattached kinetochores. Furthermore, CCDC68 interacts with the SAC factor CDC20 to inhibit its autoubiquitination and MCC disassembly. Therefore, CCDC68 restrains APC/C activation to ensure a robust SAC and allow sufficient time for chromosome alignment, thus ensuring chromosomal stability. Hence, the study reveals that CCDC68 is required for CDC20‐dependent MCC stabilization to maintain mitotic checkpoint activation.
Physics‐informed reinforcement learning for optimal control of nonlinear systems
Authors: Wang Yujia , Wu Zhe
Published: July 2024

This article proposes a model‐free framework to solve the optimal control problem with an infinite‐horizon performance function for nonlinear systems with input constraints. Specifically, two Physics‐Informed Neural Networks (PINNs) that incorporate the knowledge of the Lyapunov stability theorem and the convergence conditions of the policy iteration algorithm are utilized to approximate the value function and control policy, respectively. Then, a Reinforcement Learning (RL) algorithm that does not require any first‐principles or data‐driven models of nonlinear systems is developed to iteratively learn a nearly optimal control policy. Furthermore, we provide a rigorous theoretical analysis showing the conditions that ensure the stability of closed‐loop systems with the control policy learned by RL and guarantee the convergence of the iteration algorithm. Finally, the proposed Physics‐Informed Reinforcement Learning (PIRL) method is applied to a chemical process example to demonstrate its effectiveness.
Artificial Intelligence‐Driven Smart Scan: A Rapid, Automatic Approach for Comprehensive Imaging and Spectroscopy for Fast Compositional Analysis
Authors: Potocek Pavel , Ozsoy‐Keskinbora Cigdem , Müller Philipp , Wieczorek Thorsten , Peemen Maurice , Slusallek Philipp , Freitag Bert
Published: July 2024

Nanomaterial properties and functionalities are influenced by their shape, size, and chemical composition. The importance of these parameters highlights the need for a statistically robust analysis of a large particle population, necessitating automation. This study introduces a neural network‐empowered smart scan technique that achieves a relative increase in speed compared to traditional energy‐dispersive X‐ray spectroscopy (EDX) mapping. The main advantage is that it reduces the required dose, decreasing potential damage to the sample by avoiding unnecessary exposure. It holds potential use in other multimodal scanning transmission electron microscopy or scanning‐based imaging approaches. In the first example, identifying particles in a matrix with a trained neural network reduces the acquisition time by two orders of magnitude. This acceleration enables a statistical compositional analysis of thousands of particles in less than 1 h. Similar improvements are observed for atomic resolution. The discrete positions of atoms identified by the trained network allow for selective EDX sampling at these centers, thereby identifying the atomic species of the column with much‐reduced sampling. Consequently, a lower sampling dose is required, enabling mapping of more delicate materials with high lateral resolution and at a high statistical confidence interval. Even though manual training is still required, this approach greatly benefits repetitive quality control tasks.