bluuebunny/crossref_metadata_2025 huggingface dataset:
ChemInform Abstract: Utilization of LDH‐Based Materials as Potential Adsorbents and Photocatalysts for the Decontamination of Dyes Wastewater: A Review
Authors: Yang Zhongzhu , Wang Fenghua , Zhang Chang , Zeng Guangming , Tan Xiaofei , Yu Zhigang , Zhong Yu , Wang Hou , Cui Fang
Published: October 2016

Review: 166 refs.
ChemInform Abstract: Siderophores as Molecular Tools in Medical and Environmental Applications
Authors: Kurth Colette , Kage Hirokazu , Nett Markus
Published: October 2016

Review: 207 refs.
ChemInform Abstract: Noble Gas Supported B3+ Cluster: Formation of Strong Covalent Noble Gas—Boron Bonds.
Authors: Saha Ranajit , Pan Sudip , Mandal Subhajit , Orozco Mesias , Merino Gabriel , Chattaraj Pratim K.
Published: October 2016

B3Ng3+ (Ng: He—Rn) complexes are characterized by quantum chemical MP2 and CCSD(T) calculations.
ChemInform Abstract: Negative Absorption Peaks in Ultraviolet‐Visible Spectrum of Water.
Authors: Ji Yan , Ji Zhi , Yao Meihuan , Qian Ying , Peng Yufeng
Published: October 2016

The UV/VIS absorption spectra of water, ethanol, chloroform, DMF, and DMSO are measured.
ChemInform Abstract: Robust Thermoelectric Performance and High Spin Polarisation in CoMnTiAl and FeMnTiAl Compounds.
Authors: Bhat Tahir Mohiuddin , Gupta Dinesh C.
Published: October 2016

Structural, mechanical, and thermoelectric properties of the title Heusler compounds are investigated by DFT calculations.
ChemInform Abstract: Design of Mixed‐Metal Silver Decamolybdate Nanostructures for High Specific Energies at High Power Density.
Authors: Kumar Vipin , Matz Sebastian , Hoogestraat Dirk , Bhavanasi Venkateswarlu , Parida Kaushik , Al‐Shamery Katharina , Lee Pooi See
Published: October 2016

Triclinic Ag6Mo10O33 nanorods are prepared by hydrothermal reaction of an aqueous solution of AgNO3 and (NH4)6Mo7O24 (pH 2 adjusted with HNO3, autoclave, 140 °C, 12 h).
ChemInform Abstract: Experimental and Theoretical Studies on the Crystal Structure of Ternary Copper Arsenides A2Cu3As3 (A: Sr, Eu).
Authors: Zhang Rong , Pan Ming‐Yan , Zhu Min , Tao Xu‐Tang , Xia Sheng‐Qing
Published: October 2016

Single crystals of the new compounds Sr2Cu3As3 and Eu2Cu3As3 are prepared in a Pb flux using a 3:2:5:25 molar mixture of Sr(Eu), Cu, As, and Pb (Al2O3 crucible in evacuated silica tubes, 900 °C, 20 h; cooling to 500 °C at a rate of 3 °C/h).
ChemInform Abstract: Hydrotrifluoromethylation of Unactivated Alkenes and Alkynes Enabled by an Electron‐Donor—Acceptor Complex of Togni′s Reagent with a Tertiary Amine.
Authors: Cheng Yuanzheng , Yu Shouyun
Published: October 2016

The existence of an electron‐donor↔acceptor (EDA) complex between Togni′s reagent and NMM as tertiary amine is supported by NMR titration experiments.
ChemInform Abstract: A General Catalyst for Site‐Selective C(sp3)—H Bond Amination of Activated Secondary over Tertiary Alkyl C(sp3)—H Bonds.
Authors: Scamp Ryan J. , Jirak James G. , Dolan Nicholas S. , Guzei Ilia A. , Schomaker Jennifer M.
Published: October 2016

A newly designed silver complex generated in situ is applied to nitrene insertion into propargylic, allylic, and benzylic C—H bonds competing to tertiary alkyl C(sp3)—H bonds are reported.
ChemInform Abstract: Development of a Modified Julia Olefination of Imides for the Synthesis of Alkaloids.
Authors: Trinh Huu Vinh , Perrin Lionel , Goekjian Peter G. , Gueyrard David
Published: October 2016

An intramolecular Julia olefination of imides produces N‐fused bicyclic enamides.
ChemInform Abstract: Decarboxylative Cascade Reactions of Dihydroxyfumaric Acid: A Preparative Approach to the Glyoxylate Scenario.
Authors: Richter Celin , Berndt Falko , Kunde Tom , Mahrwald Rainer
Published: October 2016

The presented direct decarboxylative aldol reaction provides shortcuts for existing multistep routes to hydroxyketone structures found in natural products.
ChemInform Abstract: Rh‐Catalyzed [5 + 1] Cycloaddition of Allenylcyclopropanes and CO: Reaction Development and Application to the Formal Synthesis of (‐)‐Galanthamine.
Authors: Liu Cheng‐Hang , Yu Zhi‐Xiang
Published: October 2016

The reaction tolerates mono, di, and trisubstituted allenylcyclopropanes which may contain functionalized aryl or alkyl substituents.
ChemInform Abstract: Copper‐Catalyzed Electrophilic Amination Using N‐Methoxyamines.
Authors: Fukami Yutaro , Wada Takamasa , Meguro Tatsuhiko , Chida Noritaka , Sato Takaaki
Published: October 2016

Copper‐catalyzed electrophilic amination of a triarylboroxin using an N‐methoxyamine to give quick access to a variety of anilines is reported.
ChemInform Abstract: Synthesis of Fluorenes Starting from 2‐Iodobiphenyls and CH2Br2 Through Palladium‐Catalyzed Dual C—C Bond Formation.
Authors: Shi Guangfa , Chen Dushen , Jiang Hang , Zhang Yu , Zhang Yanghui
Published: October 2016

A facile and efficient approach to fluorenes is demonstrated.
ChemInform Abstract: Double Cyclization of O‐Acylated Hydroxyamides Generates 1,6‐Dioxa‐3,9‐diazaspiro[4.4]nonanes a New Class of Oxy‐oxazolidinones.
Authors: Nazarian Zohreh , Forsyth Craig
Published: October 2016

New diazaspirononanes are synthesized employing excess amounts of reagents, whereas using stoichiometric amounts of reagents leads to silyl carbamates.
ChemInform Abstract: Catalytic Asymmetric Formal γ‐Allylation of Deconjugated Butenolides
Authors: Simlandy Amit K. , Mukherjee Santanu
Published: October 2016

based on a two‐step protocol involving a catalytic diastereo‐ and enantioselective vinylogous nucleophilic addition to vinyl sulfones and Julia—Kocienski olefination
ChemInform Abstract: Regio‐ and Stereoselective Synthesis of Dithiocarbonates under Ambient and Solvent‐Free Conditions.
Authors: Diebler Johannes , Spannenberg Anke , Werner Thomas
Published: October 2016

Application of lithium tert‐butoxide as an efficient catalyst for the reaction of terminal as well as internal epoxides with carbon disulfides to dithiocarbonates is described.
ChemInform Abstract: I2 Mediated Synthesis of 5‐Substituted‐3‐methyl/benzyl‐1,3,4‐oxadiazol‐2(3H)‐ones via Sequential Condensation/Oxidative Cyclization and Rearrangement
Authors: Patel Shyam Sunder , Chandna Nisha , Kumar Shreemoyee , Jain Nidhi
Published: October 2016

from readily available carbazates and aldehydes under transition‐metal‐free conditions
ChemInform Abstract: Amidines for Versatile Cobalt(III)‐Catalyzed Synthesis of Isoquinolines Through C—H Functionalization with Diazo Compounds.
Authors: Li Jie , Tang Mengyao , Zang Lei , Zhang Xiaolei , Zhang Zhao , Ackermann Lutz
Published: October 2016

The novel cobalt‐catalyzed aminoisoquinoline synthesis proceeds by C—H/N—H bond functionalization on aryl amidines with diazo compounds.
ChemInform Abstract: Tandem Rh(III)‐Catalyzed C—H Amination/Annulation Reactions: Synthesis of Indoloquinoline Derivatives in Water.
Authors: Shi Liangliang , Wang Baiquan
Published: October 2016

Water is found to be an efficient solvent for the Rh‐catalyzed domino cyclization reaction of indoles with isoxazoles to yield indoloquinolines.
ChemInform Abstract: Organocatalytic Silyl Transfer from Silylborane to Nitroalkenes for the Synthesis of β‐Silyl Nitroalkanes and β‐Silyl Amines.
Authors: Jiang Chen‐Ran , Zhao Chun‐Liang , Guo Hui‐Fang , He Wei
Published: October 2016

Novel Si—B activation by acid/base organocatalysis, which leads to a generally efficient silyl transfer to nitroalkenes is developed.
ChemInform Abstract: Studies on the Synthesis of Novel Four‐Membered Cyclic Oxaphosphetanes via Intramolecular Mitsunobu Reaction of Bishydroxyalkylphosphinic Acids.
Authors: Kaboudin Babak , Haghighat Hamideh , Yokomatsu Tsutomu
Published: October 2016

Both rac and meso substrates give the cis products (II).
ChemInform Abstract: Darwinolide, a New Diterpene Scaffold That Inhibits Methicillin‐Resistant Staphylococcus aureus Biofilm from the Antarctic Sponge Dendrilla membranosa.
Authors: von Salm Jacqueline L. , Witowski Christopher G. , Fleeman Renee M. , McClintock James B. , Amsler Charles D. , Shaw Lindsey N. , Baker Bill J.
Published: October 2016

Darwinolide (I) shows cytotoxic activity.
ChemInform Abstract: Efficient Synthesis of Anastrephin via the Allylic Substitution for Quaternary Carbon Construction.
Authors: Wada Kyohei , Sakai Masahiro , Kawashima Hidehisa , Ogawa Narihito , Kobayashi Yuichi
Published: October 2016

(‐)‐Anastrephin (I) is synthesized in 5.5% yield over 15 steps with 91% d.s.
ChemInform Abstract: Synthesis and Antioxidant Activities of Schiff Bases and Their Complexes: A Review
Authors: Al Zoubi Wail , Al‐Hamdani Abbas Ali Salih , Kaseem Mosab
Published: October 2016

Review: 85 refs.
ChemInform Abstract: Branching Out: Rhodium‐Catalyzed Allylation with Alkynes and Allenes
Authors: Koschker Philipp , Breit Bernhard
Published: October 2016

Review: 81 refs.
ChemInform Abstract: Recent Developments in Total Syntheses of Aculeatins
Authors: Song Liyan , Yao Hongliang , Dai Yangjie , Wu Mengwei , Tong Rongbiao
Published: October 2016

Review: 50 refs.
ChemInform Abstract: Photochemical Oxidation of Furans in the Synthesis of Natural Compounds (Microreview)
Authors: Merkushev Anton A.
Published: October 2016

Review: 23 refs.
ChemInform Abstract: Reactions of Metal Cluster Anions with Inorganic and Organic Molecules in the Gas Phase
Authors: Zhao Yan‐Xia , Liu Qing‐Yu , Zhang Mei‐Qi , He Sheng‐Gui
Published: October 2016

Review: study of gas phase reactions by state‐of‐the‐art mass spectrometric experimentin conjunction with quantum chemical calculations; 248 refs.
ChemInform Abstract: Recent Advances in the Chemistry of 1,2,4‐Oxadiazoles
Authors: Pace Andrea , Buscemi Silvestre , Piccionello Antonio Palumbo , Pibiri Ivana
Published: October 2016

Review: application of 1,2,4‐oxadiazoles in materials science and medicinal chemistry; 142 refs.
ChemInform Abstract: The Current Case of Quinolones: Synthetic Approaches and Antibacterial Activity
Authors: Naeem Abdul , Badshah Syed Lal , Muska Mairman , Ahmad Nasir , Khan Khalid
Published: October 2016

Review: 130 refs.
ChemInform Abstract: C—N Bond Making Reactions at a Pyridine Ring
Authors: Sherman Angela R. , Murugan Ramiah
Published: October 2016

Review: 121 refs.
ChemInform Abstract: Comprehensive Review on Tumor Active Palladium Compounds and Structure—Activity Relationships
Authors: Alam Md Nur , Huq Fazlul
Published: October 2016

Review: 286 refs.
ChemInform Abstract: Circular Dichroism Spectroscopy of Membrane Proteins
Authors: Miles A. J. , Wallace B. A.
Published: October 2016

Review: 49 refs.
ChemInform Abstract: Photoluminescent Metal‐Organic Frameworks for Gas Sensing
Authors: Lin Rui‐Biao , Liu Si‐Yang , Ye Jia‐Wen , Li Xu‐Yu , Zhang Jie‐Peng
Published: October 2016

Review: 148 refs.
Cargo rigidity affects the sensitivity of dynein ensembles to individual motor pausing
Authors: Driller‐Colangelo Amalia R. , Chau Karen W.L. , Morgan Jessica M. , Derr Nathan D.
Published: October 2016

Cytoplasmic dynein is a minus‐end directed microtubule‐based motor protein that drives intracellular cargo transport in eukaryotic cells. Although many intracellular cargos are propelled by small groups of dynein motors, the biophysical mechanisms governing ensemble motility remain largely unknown. To investigate the emergent motility of motor ensembles, we have designed a programmable DNA origami synthetic cargo “chassis” enabling us to control the number of dynein motors in the ensemble and vary the rigidity of the cargo chassis itself. Using total internal reflection fluorescence microscopy, we have observed dynein ensembles transporting these cargo chassis along microtubules in vitro. We find that ensemble motility depends on cargo rigidity: as the number of motors increases, ensembles transporting flexible cargos move comparatively faster than a single motor, whereas ensembles transporting rigid cargos move slower than a single motor. To explain this, we show that ensembles connected through flexible cargos are less sensitive to the pauses of individual motors within the ensemble. We conclude that cargo rigidity plays an important role in communicating and coordinating the states of motors, and consequently in the subsequent mechanisms of collective motility. The insensitivity of ensemble‐driven cargos to the pausing of individual motors may contribute to the robustness and versatility of intracellular cargo transport. © 2016 Wiley Periodicals, Inc.
Structure–Activity Relationships of 2‐Sufonylpyrimidines as Quorum‐Sensing Inhibitors to Tackle Biofilm Formation and eDNA Release of Pseudomonas aeruginosa
Authors: Thomann Andreas , Brengel Christian , Börger Carsten , Kail Dagmar , Steinbach Anke , Empting Martin , Hartmann Rolf W.
Published: October 2016

Drug‐resistant Pseudomonas aeruginosa (PA) strains are on the rise, making treatment with current antibiotics ineffective. Hence, circumventing resistance or restoring the activity of antibiotics by novel approaches is of high demand. Targeting the Pseudomonas quinolone signal quorum sensing (PQS‐QS) system is an intriguing strategy to abolish PA pathogenicity without affecting the viability of the pathogen. Herein we report the structure–activity relationships of 2‐sulfonylpyrimidines, which were previously identified as dual‐target inhibitors of the PQS receptor PqsR and the PQS synthase PqsD. The SAR elucidation was guided by a combined approach using ligand efficiency and ligand lipophilicity efficiency to select the most promising compounds. In addition, the most effective inhibitors were rationally modified by the guidance of QSAR using Hansch analyses. Finally, these inhibitors showed the capacity to decrease biofilm mass and extracellular DNA, which are important determinants for antibiotic resistance.
Estimating regimen‐specific costs of chemotherapy for breast cancer: Observational cohort study
Authors: Giordano Sharon H. , Niu Jiangong , Chavez‐MacGregor Mariana , Zhao Hui , Zorzi Daria , Shih Ya‐Chen Tina , Smith Benjamin D. , Shen Chan
Published: October 2016

BACKGROUND

One goal for high‐quality patient care is communicating treatment costs to patients, yet cost information can be elusive. This is especially relevant for breast cancer care, for which numerous guideline‐concordant adjuvant chemotherapy regimens exist. The objective of the current study was to generate cost estimates for such regimens from payers’ and patients’ perspectives in a large, insured US population.

METHODS

Adult women who had incident breast cancer diagnosed between 2008 and 2012 (from the MarketScan database), had no secondary malignancy within 1 year of diagnosis, and received chemotherapy within 3 months of diagnosis were included (n = 14,643). Total and out‐of‐pocket costs were calculated using all claims within 18 months of diagnosis and were normalized to 2013 US dollars. The extended estimating equations method was used to assess cost by regimen adjusting for demographic and clinical factors.

RESULTS

Among patients who did and did not receive trastuzumab, the median insurance payments were $160,590 and $82,260, respectively, and the median out‐of‐pocket payments were $3381 and $2724, respectively. Among patients who did not receive trastuzumab, 25% paid more than $4712, and 10% of patients paid more than $7041. For patients who did receive trastuzumab, 25% paid more than $5604, and 10% paid more than $8384. Among patients who were covered by high‐deductible health plans, the median out‐of‐pocket cost was $5158, 25% paid at least $8128, and 10% paid ≥ $11,344.

CONCLUSIONS

The costs of breast cancer chemotherapy vary widely across regimens, and patients bear a substantial out‐of‐pocket burden. Cancer 2016;122:3447–3455. © 2016 American Cancer Society
Informed decision making before prostate‐specific antigen screening: Initial results using the American Cancer Society (ACS) Decision Aid (DA) among medically underserved men
Authors: Gökce Mehmet I. , Wang Xuemei , Frost Jacqueline , Roberson Pamela , Volk Robert J. , Brooks Durado , Canfield Steven E. , Pettaway Curtis A.
Published: October 2016

BACKGROUND

The American Cancer Society (ACS) recommends men have the opportunity to make an informed decision about screening for prostate cancer (PCa). The ACS developed a unique decision aid (ACS‐DA) for this purpose. However, to date, studies evaluating the efficacy of the ACS‐DA are lacking. The authors evaluated the ACS‐DA among a cohort of medically underserved men (MUM).

METHODS

A multiethnic cohort of MUM (n = 285) was prospectively included between June 2010 and December 2014. The ACS‐DA was presented in a group format. Levels of knowledge on PCa were evaluated before and after the presentation. Participants' decisional conflict and thoughts about the presentation also were evaluated. Logistic regression analyses were performed to determine factors associated with having an adequate level of knowledge.

RESULTS

Before receiving the ACS‐DA, 33.1% of participants had adequate knowledge on PCa, and this increased to 77% after the DA (P < .0001). On multivariate analysis, higher education level (odds ratio, 11.19; P = .001) and history of another cancer (odds ratio, 7.45; P = .03) were associated with having adequate knowledge after receiving the DA. Levels of decisional conflict were low and were correlated with levels of knowledge after receiving the DA. The majority of men also rated the presentation as favorable and would recommend the ACS‐DA to others.

CONCLUSIONS

Use of the ACS‐DA was feasible among MUM and led to increased PCa knowledge. This also correlated with low levels of decisional conflict. The ACS‐DA presented to groups of men may serve as a feasible tool for informed decision making in a MUM population. Cancer 2017;123:583–591. © 2016 American Cancer Society.
Measuring financial toxicity as a clinically relevant patient‐reported outcome: The validation of the COmprehensive Score for financial Toxicity (COST)
Authors: de Souza Jonas A. , Yap Bonnie J. , Wroblewski Kristen , Blinder Victoria , Araújo Fabiana S. , Hlubocky Fay J. , Nicholas Lauren H. , O'Connor Jeremy M. , Brockstein Bruce , Ratain Mark J. , Daugherty Christopher K. , Cella David
Published: October 2016

BACKGROUND

Cancer and its treatment lead to increased financial distress for patients. To the authors' knowledge, to date, no standardized patient‐reported outcome measure has been validated to assess this distress.

METHODS

Patients with AJCC Stage IV solid tumors receiving chemotherapy for at least 2 months were recruited. Financial toxicity was measured by the COmprehensive Score for financial Toxicity (COST) measure. The authors collected data regarding patient characteristics, clinical trial participation, health care use, willingness to discuss costs, psychological distress (Brief Profile of Mood States [POMS]), and health‐related quality of life (HRQOL) as measured by the Functional Assessment of Cancer Therapy: General (FACT‐G) and the European Organization for Research and Treatment of Cancer (EORTC) QOL questionnaires. Test‐retest reliability, internal consistency, and validity of the COST measure were assessed using standard‐scale construction techniques. Associations between the resulting factors and other variables were assessed using multivariable analyses.

RESULTS

A total of 375 patients with advanced cancer were approached, 233 of whom (62.1%) agreed to participate. The COST measure demonstrated high internal consistency and test‐retest reliability. Factor analyses revealed a coherent, single, latent variable (financial toxicity). COST values were found to be correlated with income (correlation coefficient [r] = 0.28; P<.001), psychosocial distress (r = ‐0.26; P<.001), and HRQOL, as measured by the FACT‐G (r = 0.42; P<.001) and by the EORTC QOL instruments (r = 0.33; P<.001). Independent factors found to be associated with financial toxicity were race (P = .04), employment status (P<.001), income (P = .003), number of inpatient admissions (P = .01), and psychological distress (P = .003). Willingness to discuss costs was not found to be associated with the degree of financial distress (P = .49).

CONCLUSIONS

The COST measure demonstrated reliability and validity in measuring financial toxicity. Its correlation with HRQOL indicates that financial toxicity is a clinically relevant patient‐centered outcome. Cancer 2017;123:476–484. © 2016 American Cancer Society.
Mammography decision making: Trends and predictors of provider communication in the Health Information National Trends Survey, 2011 to 2014
Authors: Spring Laura M. , Marshall Megan R. , Warner Erica T.
Published: October 2016

BACKGROUND

In 2009, the US Preventive Services Task Force recommended that the decision to initiate screening mammography before age 50 years should be individualized. Herein, the authors examined whether health care providers are communicating regarding mammography decision making with women and whether communication is associated with screening behavior.

METHODS

Data were drawn from the 2011 to 2014 Health Information National Trends Survey (HINTS). A total of 5915 female respondents aged ≥ 40 years who responded to the following question were included: “Has a doctor or other health professional ever told you that you could choose whether or not to have a mammogram?” We used logistic regression to generate odds ratios (ORs) and 95% confidence intervals (95% CIs) for predictors of provider communication and assessed whether provider communication was associated with mammography in the previous 2 years overall and stratified by age.

RESULTS

Fewer than 50% of the women reported provider communication regarding mammogram choice. Women who reported provider communication were not found to be more likely to report no mammogram within the past 2 years (OR, 1.07; 95% CI, 0.87‐1.31) compared with those who did not. When stratified by 10‐year age group, provider communication was associated with a higher likelihood of no mammogram only among women age ≥70 years (OR, 1.64; 95% CI, 1.15‐2.34), and was associated with a lower likelihood of no mammogram only among women aged 40 to 49 years (OR, 0.63; 95% CI, 0.43‐0.92).

CONCLUSIONS

Between 2011 and 2014, less than one‐half of women received communication regarding mammogram choice despite recommendations from the US Preventive Services Task Force. Provider communication regarding mammogram choice can influence screening behavior, particularly for younger and older women. Cancer 2017;123:401–409. © 2016 American Cancer Society.
A comparison of overall survival for patients with T4 larynx cancer treated with surgical versus organ‐preservation approaches: A National Cancer Data Base analysis
Authors: Stokes William A. , Jones Bernard L. , Bhatia Shilpa , Oweida Ayman J. , Bowles Daniel W. , Raben David , Goddard Julie A. , McDermott Jessica D. , Karam Sana D.
Published: October 2016

BACKGROUND

Although laryngectomy is the treatment of choice for patients with T4 larynx cancer, many patients are unable or unwilling to undergo laryngectomy and instead pursue larynx‐preservation strategies combining radiotherapy (RT) and chemotherapy. Herein, the authors analyzed the National Cancer Data Base to evaluate overall survival (OS) between patients treated with surgical and organ‐preserving modalities.

METHODS

The National Cancer Data Base was queried for patients diagnosed from 2004 through 2012 with T4M0 laryngeal cancer who underwent either laryngectomy (surgery) with adjuvant RT (SRT), chemotherapy starting concurrently within 7 days of RT (CCRT), or multiagent induction chemotherapy starting 43 to 98 days before RT (ICRT). Multivariate analysis and propensity score matching were used to explore the association between the intervention and OS. Recursive partitioning analysis was performed to identify groups benefiting from particular modalities.

RESULTS

A total of 1559 patients who underwent SRT, 1597 patients who underwent CCRT, and 386 patients who underwent ICRT were included. Adjusting for covariates, CCRT was found to be associated with inferior OS compared with SRT (hazard ratio [HR], 1.55; 95% confidence interval [95% CI], 1.41‐1.70 [P<.01]) and with ICRT (HR, 1.25; 95% CI, 1.07‐1.45 [P<.01]). OS among the patients treated with SRT did not appear to differ significantly from that of the ICRT cohort (HR, 0.87; 95% CI, 0.73‐1.03 [P =  0.10]), a finding confirmed with propensity score matching. Recursive partitioning analysis identified no subset of patients that derived an OS benefit from either approach over the other.

CONCLUSIONS

OS among patients undergoing SRT was found to be superior to that of patients treated with CCRT but did not significantly differ from that of those undergoing ICRT. Because these intriguing findings require validation, SRT should remain the standard of care for patients with this disease. However, organ preservation with ICRT may be a reasonable alternative in certain patients. Cancer 2017;123:600–608. © 2016 American Cancer Society.
COSMIC: High‐Resolution Cancer Genetics Using the Catalogue of Somatic Mutations in Cancer
Authors: Forbes S.A. , Beare D. , Bindal N. , Bamford S. , Ward S. , Cole C.G. , Jia M. , Kok C. , Boutselakis H. , De T. , Sondka Z. , Ponting L. , Stefancsik R. , Harsha B. , Tate J. , Dawson E. , Thompson S. , Jubb H. , Campbell P.J.
Published: October 2016

COSMIC (http://cancer.sanger.ac.uk) is an expert‐curated database of somatic mutations in human cancer. Broad and comprehensive in scope, recent releases in 2016 describe over 4 million coding mutations across all human cancer disease types. Mutations are annotated across the entire genome, but expert curation is focused on over 400 key cancer genes. Now encompassing the majority of molecular mutation mechanisms in oncogenetics, COSMIC additionally describes 10 million non‐coding mutations, 1 million copy‐number aberrations, 9 million gene‐expression variants, and almost 8 million differentially methylated CpGs. This information combines a consistent interpretation of the data from the major cancer genome consortia and cancer genome literature with exhaustive hand curation of over 22,000 gene‐specific literature publications. This unit describes the graphical Web site in detail; alternative protocols overview other ways the entire database can be accessed, analyzed, and downloaded. © 2016 by John Wiley & Sons, Inc.
Pronuclear Injection‐Based Targeted Transgenesis
Authors: Schilit Samantha L.P. , Ohtsuka Masato , Quadros Rolen M. , Gurumurthy Channabasavaiah B.
Published: October 2016

Microinjection of DNA expression cassettes into fertilized zygotes has been a standard method for generating transgenic animal models. While efficient, the injected DNA integrates randomly into the genome, leading to potential disruption of endogenous genes or regulatory elements, variation in copy number, or integration into heterochromatic regions that inhibit transgene expression. A recently developed method addresses such pitfalls of traditional transgenesis by targeting the transgene to predetermined sites in the genome that can safely harbor exogenous DNA. This method, called Pronuclear Injection‐based Targeted Transgenesis (PITT), employs an enzymatic transfer of exogenous DNA from a donor vector to a previously created landing‐pad site in the mouse genome. DNA transfer is achieved using molecular tools such as the Cre‐LoxP recombinase and PhiC31‐attB/P integrase systems. Here, we provide protocols for performing PITT and an overview of the current PITT tools available to the research community. © 2016 by John Wiley & Sons, Inc.
Analysis of Heritability Using Genome‐Wide Data
Authors: Hall Jacob B. , Bush William S.
Published: October 2016

Most analyses of genome‐wide association data consider each variant independently without considering or adjusting for the genetic background present in the rest of the genome. New approaches to genome analysis use representations of genomic sharing to better account for confounding factors like population stratification or to directly approximate heritability through the estimated sharing of individuals in a dataset. These approaches use mixed linear models, which relate genotypic sharing to phenotypic sharing, and rely on the efficient computation of genetic sharing among individuals in a dataset. This unit describes the principles and practical application of mixed models for the analysis of genome‐wide association study data. © 2016 by John Wiley & Sons, Inc.
Transcriptome Analysis at the Single‐Cell Level Using SMART Technology
Authors: Fish Rachel N. , Bostick Magnolia , Lehman Alisa , Farmer Andrew
Published: October 2016

RNA sequencing (RNA‐seq) is a powerful method for analyzing cell state, with minimal bias, and has broad applications within the biological sciences. However, transcriptome analysis of seemingly homogenous cell populations may in fact overlook significant heterogeneity that can be uncovered at the single‐cell level. The ultra‐low amount of RNA contained in a single cell requires extraordinarily sensitive and reproducible transcriptome analysis methods. As next‐generation sequencing (NGS) technologies mature, transcriptome profiling by RNA‐seq is increasingly being used to decipher the molecular signature of individual cells. This unit describes an ultra‐sensitive and reproducible protocol to generate cDNA and sequencing libraries directly from single cells or RNA inputs ranging from 10 pg to 10 ng. Important considerations for working with minute RNA inputs are given. © 2016 by John Wiley & Sons, Inc.
Drug Transporters: Advances and Opportunities
Authors: Govindarajan R , Sparreboom A
Published: October 2016

Drug transporter research conducted over the last several decades has led to a greatly advanced understanding of the mechanisms underlying the principles of drug absorption and disposition. Although many transporters remain poorly characterized, there is ample evidence that the drug transporter field will ultimately provide vital support to routine patient management, and will play a key role in the discovery, development, and evaluation of innovative, cutting‐edge therapies.
Between‐Batch Pharmacokinetic Variability Inflates Type I Error Rate in Conventional Bioequivalence Trials: A Randomized Advair Diskus Clinical Trial
Authors: Burmeister Getz E , Carroll KJ , Mielke J , Benet LZ , Jones B
Published: October 2016

We previously demonstrated pharmacokinetic differences among manufacturing batches of a US Food and Drug Administration (FDA)‐approved dry powder inhalation product (Advair Diskus 100/50) large enough to establish between‐batch bio‐inequivalence. Here, we provide independent confirmation of pharmacokinetic bio‐inequivalence among Advair Diskus 100/50 batches, and quantify residual and between‐batch variance component magnitudes. These variance estimates are used to consider the type I error rate of the FDA's current two‐way crossover design recommendation. When between‐batch pharmacokinetic variability is substantial, the conventional two‐way crossover design cannot accomplish the objectives of FDA's statistical bioequivalence test (i.e., cannot accurately estimate the test/reference ratio and associated confidence interval). The two‐way crossover, which ignores between‐batch pharmacokinetic variability, yields an artificially narrow confidence interval on the product comparison. The unavoidable consequence is type I error rate inflation, to ∼25%, when between‐batch pharmacokinetic variability is nonzero. This risk of a false bioequivalence conclusion is substantially higher than asserted by regulators as acceptable consumer risk (5%).
Comment on: “Cell therapy for heart disease: Trial sequential analyses of two cochrane reviews”
Authors: Castellini G , Nielsen EE , Gluud C
Published: October 2016

Trial Sequential Analysis (TSA) is a frequentist method to help researchers control the risks of random errors in meta‐analyses.1 Fisher et al.2 used TSA on cell therapy for heart diseases. The present article discusses the usefulness of TSA and its dependence on the choice of the parameters for calculation of the required information size and the adjacent monitoring boundaries, and comments on the approach by Fisher et al.2
Synergistic Effect of a Molecular Cocatalyst and a Heterojunction in a 1 D Semiconductor Photocatalyst for Robust and Highly Efficient Solar Hydrogen Production
Authors: Jiang Daochuan , Irfan Rana Muhammad , Sun Zijun , Lu Dapeng , Du Pingwu
Published: October 2016

Photocatalytic production of hydrogen by water splitting is a promising pathway for the conversion of solar energy into chemical energy. However, the photocatalytic conversion efficiency is often limited by the sluggish transfer of the photogenerated charge carriers, charge recombination, and subsequent slow catalytic reactions. Herein, we report a highly active noble‐metal‐free photocatalytic system for hydrogen production in water. The system contains a water‐soluble nickel complex as a molecular cocatalyst and zinc sulfide on 1D cadmium sulfide as the heterojunction photocatalyst. The complex can efficiently transport photogenerated electrons and holes over a heterojunction photocatalyst to hamper charge recombination, leading to highly improved catalytic efficiency and durability of a heterojunction photocatalyst– molecular cocatalyst system. The results show that under optimal conditions, the average apparent quantum yield was approximately 58.3 % after 7 h of irradiation with monochromatic 420 nm light. In contrast, the value is only 16.8 % if the molecular cocatalyst is absent. Such a remarkable performance in a molecular cocatalyst‐based photocatalytic system without any noble metal loading has, to the best of our knowledge, not been reported to date.
Structure–Reactivity Correlations in Vanadium‐Containing Catalysts for One‐Pot Glycerol Oxidehydration to Acrylic Acid
Authors: Chieregato Alessandro , Bandinelli Claudia , Concepción Patricia , Soriano M. Dolores , Puzzo Francesco , Basile Francesco , Cavani Fabrizio , Nieto José M. López
Published: October 2016

The design of suitable catalysts for the one‐pot conversion of glycerol into acrylic acid (AA) is a complex matter, as only fine‐tuning of the redox and acid properties makes it possible to obtain significant yields of AA. However, fundamental understanding behind the catalytic phenomenon is still unclear. Structure–reactivity correlations are clearly behind these results, and acid sites are involved in the dehydration of glycerol into acrolein with vanadium as the main (or only) redox element. For the first time, we propose an in‐depth study to shed light on the molecular‐level relations behind the overall catalytic results shown by several types of V‐containing catalysts. Different multifunctional catalysts were synthesized, characterized (>X‐ray diffraction, X‐ray photoelectron spectroscopy, Raman spectroscopy, temperature‐programmed reduction, and temperature‐programmed desorption of ammonia), and tested in a flow reactor. Combining the obtained results with those acquired from an in situ FTIR spectroscopy study with acrolein (a reaction intermediate), it was possible to draw conclusions on the role played by the various physicochemical features of the different oxides in terms of the adsorption, surface reactions, and desorption of the reagents and reaction products.
Direct Hydrogen Evolution from Saline Water Reduction at Neutral pH using Organic Photocathodes
Authors: Haro Marta , Solis Claudia , Blas‐Ferrando Vicente M. , Margeat Olivier , Dhkil Sadok Ben , Videlot‐Ackermann Christine , Ackermann Jörg , Di Fonzo Fabio , Guerrero Antonio , Gimenez Sixto
Published: October 2016

Here, we have developed an organic photocathode for water reduction to H2, delivering more than 1 mA cm−2 at 0 V versus RHE and above 3 mA cm−2 at −0.5 V versus RHE with moderate stability under neutral pH conditions. The initial competitive reduction of water to H2 and ZnO to metallic Zn is responsible for the dynamic behaviour of both photocurrent and Faradaic efficiency of the device, which reaches 100 % Faradaic efficiency after 90 min operation. In any case, outstanding stable H2 flow of approximately 2 μmol h−1 is measured over 1 h at 0 V versus RHE and at neutral pH, after equilibrium between the Zn2+/Zn0 concentration in the AZO film is reached. This achievement opens new avenues for the development of allsolution‐processed organic photoelectrochemical cells for the solar generation of H2 from sea water.
Elimination of erroneous results in flow cytometry caused by antibody binding to Fc receptors on human monocytes and macrophages
Authors: Andersen Morten N. , Al‐Karradi Sinan N. H. , Kragstrup Tue W. , Hokland Marianne
Published: October 2016

Nonspecific binding of monoclonal antibodies (mAbs) to Fc‐receptors on leukocytes is an important cause of background fluorescence in flow cytometry, and failing to block such nonspecific binding can lead to erroneous results. A major part of previous studies on blocking reagents for flow cytometry have been done in mice, and published results are not completely in agreement. In humans, Fc‐receptors are found on most leukocytes, with highest abundance on monocytes/macrophages. Therefore, in the present study our aim was to thoroughly investigate the efficiency of different commonly used blocking reagents regarding inhibition of nonspecific binding of mouse mAbs to human peripheral blood mononuclear cells (MNCs) and monocyte‐derived macrophages (MDMs). Monocytes and MDMs showed strong nonspecific binding of IgG1 and IgG2a isotypes, but not IgG2b. In contrast, B‐cells, T‐cells, and NK‐cells did not substantially bind any of the mouse isotype control antibodies evaluated (IgG1, IgG2a, and IgG2b). Importantly, we show that binding of IgG1 and IgG2a to monocytes and MDMs can be eliminated by blocking, either with a commercial Fc‐blocking reagent, with mouse or human serum, or with mouse or human IgG in high concentration. Previously, isotype controls have been widely used in flow cytometry assays. However, we show that such controls may be highly unreliable, and we believe they should not be used as gating controls, or to determine background signal. Based on these results, as well as considerations of price and applicability, our recommendation is not to use isotypes as gating controls in flow cytometry, but instead to use 100 μg/mL of purified human IgG as blocking reagent for elimination of nonspecific binding of mouse mAbs to human MNCs and MDMs. © 2016 International Society for Advancement of Cytometry
Evaluation of new markers for minimal residual disease monitoring in B‐cell precursor acute lymphoblastic leukemia: CD73 and CD86 are the most relevant new markers to increase the efficacy of MRD 2016; 00B: 000–000
Authors: Tembhare Prashant R. , Ghogale Sitaram , Ghatwai Nisha , Badrinath Yajamanam , Kunder Nikesh , Patkar Nikhil V. , Bibi Asma R. , Chatterjee Gaurav , Arora Brijesh , Narula Gaurav , Banawali Shripad , Deshpande Nilesh , Amare Prathibha , Gujral Sumeet , Subramanian Papagudi G.
Published: October 2016

Background

Multiparametric flow cytometry (MFC) is a popular technique for minimal residual disease (MRD) analysis. However, its applicability is still limited to 90% of B‐cell precursor acute lymphoblastic leukemia (BCPALL) due to two major issues, i.e. a proportion of cases do not express adequate leukemia associated immunophenotype (LAIPs) with currently used markers and drug‐induced antigen modulation. Hence, the incorporation of additional reliable markers is required for the further improvement of MFC‐based MRD evaluation. We studied the utility of new markers in improvising MFC‐based MRD detection in BCPALL.

Methods

Expression‐patterns of six new markers, i.e. CD24, CD44, CD72, CD73, CD86, and CD200 were studied in leukemic‐blasts from ninety childhood BCPALL patients and in hematogones from 20 uninvolved staging bone marrow (BM) and ten postinduction non‐BCPALL BM samples using eight‐color MFC. The utility of these new markers in the day 35 postinduction MRD evaluation was determined.

Results

Frequencies of LAIPs of CD73, CD86, CD72, CD44, CD200, and CD24 in diagnostic samples were 76.7, 56.7, 55.6, 50, 28.9, and 20%, respectively. Differential expression of all new markers was highly significant (P < 0.01) between early (CD10+ CD19+ CD34+) hematogones, late (CD10+ CD19+ CD34−) hematogones and BCPALL blasts except between early hematogones and BCPALL blasts for CD200 (P = 0.1). In MRD‐positive samples, CD73 showed the maximum (83%) frequency of LAIP and CD86 showed the highest (100%) stability of aberrant expression. Inclusion of CD73 and CD86 increased the applicability of MFC–MRD assay to 98.9% MRD samples.

Conclusion

CD73 and CD86 are the most relevant markers to incorporate in the routine MRD evaluation of BCPALL. © 2016 International Clinical Cytometry Society
Electrical and optical clock and data recovery in optical access networks: a comparative study
Authors: Abd El‐Khaleq Esraa , El‐Sayed Yasmine , Ismail Tawfik , Mostafa Hassan
Published: October 2016

Clock and data recovery (CDR) is an essential part in high‐speed telecommunication systems. The CDR is used to extract the clock and re‐time the received data, which allows a synchronous operation to recover the transmitted signal. In optical access networks, electrical CDR or optical CDR implementations can be used. However, there are no clear guidelines or recommendations on which CDR implementation should be adopted for better performance. These missing clear recommendations are because the electrical CDR requires electronics design expertise whereas the optical CDR requires optical design expertise. Consequently, in this paper, an all‐digital CDR, designed and implemented on the field‐programmable gate array platform, and an optical CDR, developed by using fiber Bragg grating technology on the OptiSystem platform, are presented. Furthermore, the integration of these 2 CDR implementations with the optical access network is implemented, and their performance is evaluated for various transmission rates and communication distances. Finally, a comparative study in terms of the bit error rate between the all‐digital CDR and the optical CDR is presented.
The “when” and the “where” of single‐trial allocentric spatial memory performance in young children: Insights into the development of episodic memory
Authors: Ribordy Lambert Farfalla , Lavenex Pierre , Banta Lavenex Pamela
Published: October 2016

Allocentric spatial memory, “where” with respect to the surrounding environment, is one of the three fundamental components of episodic memory: what, where, when. Whereas basic allocentric spatial memory abilities are reliably observed in children after 2 years of age, coinciding with the offset of infantile amnesia, the resolution of allocentric spatial memory acquired over repeated trials improves from 2 to 4 years of age. Here, we first show that single‐trial allocentric spatial memory performance improves in children from 3.5 to 7 years of age, during the typical period of childhood amnesia. Second, we show that large individual variation exists in children's performance at this age. Third, and most importantly, we show that improvements in single‐trial allocentric spatial memory performance are due to an increasing ability to spatially and temporally separate locations and events. Such improvements in spatial and temporal processing abilities may contribute to the gradual offset of childhood amnesia.
Quantification of three beta‐lactam antibiotics in breast milk and human plasma by hydrophilic interaction liquid chromatography/positive‐ion electrospray ionization mass spectrometry
Authors: Kiriazopoulos Evaggelos , Zaharaki Sabina , Vonaparti Ariadni , Vourna Panagiota , Panteri‐Petratou Eirini , Gennimata Dimitra , Lombardo Kara , Panderi Irene
Published: October 2016

The use of cephalosporins during breast feeding raises several issues, including the risk of drug exposure through breast milk for the infant. In this paper, a hydrophilic interaction liquid chromatography/positive ion electrospray mass spectrometric assay (HILIC/ESI‐MS) was developed for the quantitation of cefuroxime, cefoxitin, and cefazolin in breast milk and human plasma. The assay was based on the use of small sample size, 25 μL of biological samples, following acetonitrile precipitation of proteins and filtration that enabled injection into the HILIC/ESI‐MS system. All analytes and the internal standard, alfuzosin, were separated by using a ZIC®‐HILIC analytical column (150.0 × 2.1 mm i.d., particle size 3.5 µm, 200 Å) with isocratic elution. The mobile phase was composed of a 6% 12.5 mM ammonium acetate water solution in acetonitrile and pumped at a flow rate of 0.25 mL min‐1. The assay was linear over a concentration range of 0.2 to 5 µg mL‐1 and 0.4 to 20 µg mL‐1 for all the analytes in breast milk and in human plasma, respectively. Intermediate precision was found to be less than 4.2% over the tested concentration ranges. A run time of less than 12 min for each sample made it possible to analyze a large number of biological samples per day. The method is the first reported application of HILIC in the analysis of antibiotics in breast milk and human plasma and it can be used to support a wide range of clinical studies. Copyright © 2016 John Wiley & Sons, Ltd.
Detection of 5α‐androst‐2‐en‐17‐one and variants: Identification of main urinary metabolites in human urine samples by GC‐MS and NMR
Authors: Ayotte Christiane , Sylvestre Alexandre , Charlebois Alain , Poirier Donald
Published: October 2016

Two steroids were identified in a supplement named D‐2 following the detection of unknown compounds during the routine testing of an athlete's sample. The main glucuroconjugated metabolites were isolated from this urine by high performance liquid chromatography (HPLC) following enzymatic hydrolysis and identified by gas chromatography‐mass spectrometry (GC‐MS) and nuclear magnetic resonance (NMR) analyses as being 2α‐hydroxy‐5α‐androst‐3‐en‐17‐one (M1) and 2β,3α‐dihydroxy‐5α‐androstan‐17‐one (M2). A third metabolite, 3α,4β‐dihydroxy‐5α‐androstan‐17‐one (M3) was also detected, however in lower amounts. The precursor steroids, 5α‐androst‐2‐en‐17‐one (1) and 5α‐androst‐3‐en‐17‐one (2) were present in the first D‐2 products offered on the Internet. Later, the corresponding 17‐hydroxyl compounds were offered as such or as esters (acetate, cypionate) in different relative ratios. Both M2 and M3 were synthesized from the trans‐diaxial hydrolysis of the corresponding 2α,3α‐ and 3α,4α‐epoxides (3). These were excreted in the hours following the controlled administration of the commercial product called D‐2 R to a male volunteer and were also produced from the incubation of 1 and 2 with S9 liver fractions. Some preparations contain predominantly the alkene in C‐2 and, therefore, an efficient detection method must include both primary metabolites M1 and M2. The latter was found equally in the fractions extracted following the enzymatic hydrolysis with β‐glucuronidase and the chemical solvolysis, which may ease its identification. Copyright © 2016 John Wiley & Sons, Ltd.
Evaluation of fibronectin 1 in one dried blood spot and in urine after rhGH treatment
Authors: Ferro P. , Ventura R. , Pérez‐Mañá C. , Farré M. , Segura J.
Published: October 2016

Since the appearance of recombinant human growth hormone (rhGH) in the 1980s, its expansion and acquisition through the black market has increased, so the detection of its abuse continues to be a challenge. New biomarkers that are more reliable and sensitive, allowing a larger detection window, are still needed. In this line, Fibronectin 1 (FN1) has been proposed as a potential genetic and protein biomarker of rhGH abuse in peripheral blood lymphocytes, serum, and plasma. However, logistic problems associated with current blood collection in sports drug testing point towards potential new alternative matrices that could be good candidates to be evaluated. Results obtained in this study showed high ELISA FN1 levels in one dried blood spot and in urine samples in ten healthy male volunteers treated with rhGH. Results showed that especially dried blood spots appear as a potential good matrix to detect rhGH abuse by means of FN1 biomarker. Copyright © 2016 John Wiley & Sons, Ltd.