bluuebunny/crossref_metadata_2025 huggingface dataset:
Study of the Phosphoryl‐Transfer Mechanism of Shikimate Kinase by NMR Spectroscopy
Authors: Prado Verónica , Lence Emilio , Vallejo Juan A. , Beceiro Alejandro , Thompson Paul , Hawkins Alastair R. , González‐Bello Concepción
Published: January 2016

The phosphoryl‐transfer mechanism of shikimate kinase from Mycobacterium tuberculosis and Helicobacter pylori, which is an attractive target for antibiotic drug discovery, has been studied by 1D 1H and 31P NMR spectroscopy. Metaphosphoric acid proved to be a good mimetic of the metaphosphate intermediate and facilitated the ready and rapid evaluation by NMR spectroscopic analysis of a dissociative mechanism. The required closed form of the active site for catalysis was achieved by the use of ADP (product) or two synthetic ADP analogues (AMPNP, AMPCP). Molecular dynamics simulation studies reported here also revealed that the essential arginine (Arg116/Arg117 in H. pylori and M. tuberculosis, respectively), which activates the γ‐phosphate group of ATP for catalysis and triggers the release of the product for turnover, would also be involved in the stabilisation of the metaphosphate intermediate during catalysis. We believe that the studies reported here will be helpful for future structure‐based design of inhibitors of this attractive target. The approach is also expected be useful for studies on the possible dissociative mechanism of other kinase enzymes.
Tridecacyclene: A Cyclic Tetramer of Acenaphthylene
Authors: Sumy Daniel P. , Dodge Nicholas J. , Harrison Chloe M. , Finke Aaron D. , Whalley Adam C.
Published: January 2016

In this manuscript, we describe the single‐step preparation of a cyclic tetramer of acenaphthylene through a Lewis acid‐catalyzed aldol cyclization of 1‐acenaphthenone. The previously unexplored cyclic tetramer material differs from the better‐known cyclic trimer, decacyclene, due to the presence of a central eight‐membered ring. This ring not only forces the molecule to distort significantly from planarity, but is also responsible for its unique electronic properties, including a decrease in the reduction potential (by about 0.4 eV) and optical gap (by about 0.73 eV), compared to the more planar decacyclene. The synthesized compound crystallizes into a unique packing structure with significant π‐stacking observed between adjacent molecules. Furthermore, due to its saddle‐like shape, the cyclic tetramer is able to form shape‐complementary interactions between its concave surface and the convex outer surface of buckminsterfullerene to generate cocrystalline supramolecular assemblies.
ChemInform Abstract: Synthesis, Direct Formation under High Pressure, Structure, and Electronic Properties of LiNbO3‐Type Oxide PbZnO3.
Authors: Mori Daisuke , Tanaka Kie , Saitoh Hiroyuki , Kikegawa Takumi , Inaguma Yoshiyuki
Published: January 2016

The title compound is prepared by hot pressing of a mixture of PbO2 and ZnO together with KClO3 as oxidizing agent (multianvil press, 5—7.5 GPa, 1000—1200 °C, 30 min).
ChemInform Abstract: Design and Synthesis of the Beryllium‐Free Deep‐Ultraviolet Nonlinear Optical Material Ba3(ZnB5O10)PO4.
Authors: Yu Hongwei , Zhang Weiguo , Young Joshua , Rondinelli James M. , Halasyamani P. Shiv
Published: January 2016

The title compound is synthesized by solid state reaction of a stoichiometric mixture of BaCO3, ZnO, H3BO3, and NH4H2PO4 (Pt crucible, 840 °C, 72 h).
ChemInform Abstract: Novel Layered Perovskite Sr3Ti2O7:Eu3+ Phosphor with High‐Efficiency Luminescence Enhanced by Charge Compensation.
Authors: Zhang Le , Sun Bingheng , Liu Quan , Ding Nan , Yang Hao , Wang Lixi , Zhang Qitu
Published: January 2016

The Sr3Ti2O7:Eu3+(5%) red phosphor with double‐layered perovskite structure is prepared by ball milling (8 h) of SrCO3, TiO2, and Eu2O3 prior to calcination in air (1000—1300 °C, 2 h).
ChemInform Abstract: A Facile Molecular Precursor Route to Metal Phosphide Nanoparticles and Their Evaluation as Hydrodeoxygenation Catalysts.
Authors: Habas Susan E. , Baddour Frederick G. , Ruddy Daniel A. , Nash Connor P. , Wang Jun , Pan Ming , Hensley Jesse E. , Schaidle Joshua A.
Published: January 2016

Phase‐pure Ni2P (I), Rh2P (II), and Pd3P (III) nanoparticles (NPs) are prepared in a one‐pot reaction using Ni(PPh3)2(CO)2 and PPh3 (1:4) or Rh(PPh3)2(CO)Cl or Pd(PPh3)4 in dry oleylamine and 1‐octadecene (320 °C, 2 h for (I); 300 °C, 1 h for (II) and (III)) followed by addition of CHCl3 and iPrOH to precipitate the NPs.
ChemInform Abstract: Ba2InTaO6 — A Partially B‐Site‐Ordered Double Perovskite for Overall Water Splitting.
Authors: Song Kai , Yang Jia , Jiang Pengfei , Gao Wenliang , Cong Rihong , Yang Tao
Published: January 2016

Ba2InTaO6 is prepared by solid state reaction of a stoichiometric mixture of BaCO3, Ta2O5, and In2O3 under a 10% H2/Ar reductive atmosphere (1130 °C, 15 h).
ChemInform Abstract: Host‐Guest Structural Architectures in Hydrous Alkaline (Li, K) Uranyl Chromates and Dichromates.
Authors: Nazarchuk Evgeny V. , Siidra Oleg I. , Zadoya Anastasiya I. , Agakhanov Atali A.
Published: January 2016

The crystal structures of compounds (IV) and (VI) are determined by single crystal XRD.
ChemInform Abstract: Synthesis, Structure, and Pressure‐Induced Polymerization of Li3Fe(CN)6 Accompanied with Enhanced Conductivity.
Authors: Li Kuo , Zheng Haiyan , Hattori Takanori , Sano‐Furukawa Asami , Tulk Christopher A. , Molaison Jamie , Feygenson Mikhail , Ivanov Ilia N. , Yang Wenge , Mao Ho‐kwang
Published: January 2016

Anhydrous Li3Fe(CN)6 is obtained from samples prepared from freshly precipitated Ag3Fe(CN)6 which is dispersed in a cold LiCl (≈0 °C) solution, filtrated, and freeze dried to arrive at Li3Fe(CN)6·2H2O crystals, the latter being heated in a protective atmosphere (140—150 °C, 20—30 min).
ChemInform Abstract: Anchoring of a Copper(II)—Schiff Base Complex onto Silica‐Coated Ferrite Nanoparticles: A Magnetically Separable Catalyst for Oxidative C—O Coupling by Direct C(sp2)—H and C(sp3)—H Bond Activation.
Authors: Ghanbaripour Rashid , Samadizadeh Marjaneh , Honarpisheh Golnaz , Abdolmohammadi Majid
Published: January 2016

The catalyst is used for the preparation of enol carbamates (III) from DMF and 1,3‐dicarbonyl compounds as well as for the oxidative esterification of toluenes (IV) with cyclic ethers (V) and (VII).
ChemInform Abstract: Enantioselective Addition of Heteroarylboronates to Arylimines Catalyzed by a Rhodium‐Diene Complex.
Authors: Chen Ya‐Jing , Cui Zhe , Feng Chen‐Guo , Lin Guo‐Qiang
Published: January 2016

Rhodium‐diene complex RDPT is an efficient catalyst for the enantioselective 1,2‐addition of heteroarylboronates (II) to aryl N‐tosylimines (I) and aryl N‐nosylimine (VII).
ChemInform Abstract: Enantioselective α‐Alkylation of Benzylideneamino tert‐Butyl Malonates by Phase‐Transfer Catalysis.
Authors: Park Cheonhyoung , Ha Min Woo , Kim Byungsoo , Hong Suckchang , Kim Doyoung , Park Yohan , Kim Mi‐hyun , Lee Jae Kyun , Lee Jeeyeon , Park Hyeung‐geun
Published: January 2016

(S,S)‐3,4,5‐Trifluorophenyl‐NAS bromide is applied as an efficient phase‐transfer catalyst for the enantioselective α‐alkylation of orthogonally protected malonates (I).
ChemInform Abstract: A Highly Enantioselective, Organocatalytic [3 + 2]‐Cycloannulation Reaction Towards the de novo‐Synthesis of 1‐Cyclopentenyl‐α‐keto Esters.
Authors: Nareddy Pradeep R. , Schneider Christoph
Published: January 2016

A highly enantioselective organocatalyzed domino reaction of bis‐silyl‐1,3‐dienediolate (II) with α,β‐unsaturated aldehydes is developed furnishing 1‐cyclopentenyl‐α‐keto esters (III) in good yields and excellent enantioselectivities (up to 98%).
ChemInform Abstract: Positive Effect of Water in Asymmetric Direct Aldol Reactions with Primary Amine Organocatalyst: Experimental and Computational Studies.
Authors: Moteki Shin A. , Maruyama Hiroki , Nakayama Keiji , Li Hai‐Bei , Petrova Galina , Maeda Satoshi , Morokuma Keiji , Maruoka Keiji
Published: January 2016

The origin of higher reactivity in water‐accelerated asymmetric aldol reaction with a primary amine organocatalyst is elucidated by both computational and experimental methods.
ChemInform Abstract: Enzymatic Allylation of Catechols.
Authors: Zhang Yixin , Liu Wujun , Sohail Muhammad , Wang Xueying , Liu Yuxue , Zhao Zongbao K.
Published: January 2016

Enzymatic allylation of catechols is achieved via catechol O‐methyltransferase (COMT) using an allylated S‐adenosyl‐L‐methionine analog, with relatively good chemo‐ and regioselectivities.
ChemInform Abstract: Diastereoselective Addition of Metal α‐Fluoroenolates of Carboxylate Esters to N‐tert‐Butylsulfinyl Imines: Synthesis of α‐Fluoro‐β‐amino Acids.
Authors: Shang Huaqi , Li Ya , Li Xiang , Ren Xinfeng
Published: January 2016

The addition proceeds well to aryl and alkyl aldimines as well as to diaryl ketimines.
ChemInform Abstract: Cooperative Multicatalytic System for the One‐Pot Synthesis of Octahydrospiro‐β‐carbolines.
Authors: Subba Reddy B. V. , Rajashekhar Reddy M. , Yarlagadda Suresh , Ravikumar Reddy C. , Ravi Kumar G. , Yadav J. S. , Sridhar B.
Published: January 2016

Though cyclohexanone as ketone reactant works well, N‐benzylisatin as well as α‐tetralone fail to yield the desired products.
ChemInform Abstract: Substrate‐Controlled Product‐Selectivity in the Reaction of the Bestmann—Ohira Reagent with N‐Unprotected Isatin‐Derived Olefins.
Authors: Gupta Ashis Kumar , Ahamad Shakir , Gupta Ekta , Kant Ruchir , Mohanan Kishor
Published: January 2016

The title reaction features a substrate‐controlled product‐selectivity to afford either spiro‐pyrazoline‐oxindoles (III) or pyrazoloquinazolinones (V) depending on the electronic nature of the substituent at the isatylidene moiety.
ChemInform Abstract: Synthesis of Multisubstituted Triphenylenes and Phenanthrenes by Cascade Reaction of o‐Iodobiphenyls or (Z)‐β‐Halostyrenes with o‐Bromobenzyl Alcohols Through Two Sequential C—C Bond Formations Catalyzed by a Palladium Complex.
Authors: Iwasaki Masayuki , Araki Yasuhiro , Iino Shohei , Nishihara Yasushi
Published: January 2016

o‐Bromobenzyl alcohols are introduced as new annulation reagents, which facilitate the annulation of o‐iodobiphenyls and (Z)‐β‐halostyrenes to afford triphenylenes and phenanthrenes, respectively.
ChemInform Abstract: Oxidative Acylation of Sulfoximines with Methylarenes as an Acyl Donor.
Authors: Zhao Zhenguang , Wang Tao , Yuan Lin , Jia Xingwang , Zhao Junfeng
Published: January 2016

An efficient direct oxidative acylation reaction of sulfoximes with methylarenes (II) as acyl donor to give N‐arylated sulfoximines is developed.
ChemInform Abstract: Catalytic Aerobic Dehydrogenation of Nitrogen Heterocycles Using Heterogeneous Cobalt Oxide Supported on Nitrogen‐Doped Carbon.
Authors: Iosub Andrei V. , Stahl Shannon S.
Published: January 2016

The catalyst is prepared by pyrolysis of Co(OAc)2/1,10‐phenanthroline on acetylene black and Vulcan XC72R at 800°C under argon.
ChemInform Abstract: Unactivated C(sp3)—H Hydroxylation Through Palladium Catalysis with H2O as the Oxygen Source.
Authors: Hu Jiantao , Lan Tianlong , Sun Yihua , Chen Hui , Yao Jiannian , Rao Yu
Published: January 2016

A new procedure is elaborated for the Pd‐catalyzed hydroxylation of amides such as (I), (III), (VIII), and (X).
ChemInform Abstract: Ammonium Iodide Induced Nonradical Regioselective Sulfenylation of Flavones via a C—H Functionalization Process.
Authors: Zhao Wannian , Xie Ping , Bian Zhaogang , Zhou Aihua , Ge Haibo , Zhang Min , Ding Yingcai , Zheng Lian
Published: January 2016

A novel sulfenylation method is developed to construct C—S bonds via regioselective C—H functionalization, in which DMSO and alkyl/arylsulfonyl hydrazines are used as sulfenylating agents, generating MeS‐ and ArS‐substituted flavone derivatives in good yields.
ChemInform Abstract: Solvent‐Free Ruthenium(II)‐Catalyzed C—H Activation: Synthesis of Alkenylarylpyrazole Derivatives.
Authors: Shome Sanchari , Singh Surya Prakash
Published: January 2016

This direct alkenylation reaction is performed either under solvent‐free reaction conditions or by using a user‐friendly solvent.
ChemInform Abstract: Higher‐Order Cyclopropenimine Superbases: Direct Neutral Broensted Base Catalyzed Michael Reactions with α‐Aryl Esters.
Authors: Nacsa Eric D. , Lambert Tristan H.
Published: January 2016

A higher‐order superbase incorporating a cyclopropenimine functionality catalyzes conjugate addition reactions of α‐aryl ester pro‐nucleophiles.
ChemInform Abstract: Practical Synthesis of N‐(Diphenylmethyl)‐ and N‐(1‐Adamantyl)amides Directly from Aldehydes via a One‐Pot Schmidt and Ritter Reaction Sequence.
Authors: Hazarika Nabajyoti , Baishya Gakul , Phukan Prodeep
Published: January 2016

This protocol does not require chromatographic purification of the products.
ChemInform Abstract: Lewis Acid Mediated Tandem Reaction of Propargylic Alcohols with Hydroxylamine Hydrochloride to Give α,β‐Unsaturated Amides and Alkenyl Nitriles.
Authors: Han Ya‐Ping , Song Xian‐Rong , Qiu Yi‐Feng , Hao Xin‐Hua , Wang Jia , Wu Xin‐Xing , Liu Xue‐Yuan , Liang Yong‐Min
Published: January 2016

New strategies extend the application of hydroxylamine hydrochloride to the chemistry of propargylic alcohols.
ChemInform Abstract: Copper‐Catalyzed C—O Coupling of Styrenes with N‐Hydroxyphthalimide Through Dihydroxylamination Reactions.
Authors: Xia Xiao‐Feng , Zhu Su‐Li , Zhang Danting
Published: January 2016

The title reaction is successfully performed starting from electron‐neutral or electron‐deficient styrene derivatives, but fails using cyclohexene or norbornene or styrenes with electron‐donating substituents.
ChemInform Abstract: Didecarboxylative Iron‐Catalyzed Bidirectional Aldolization Towards Diversity‐Oriented Ketodiol Synthesis.
Authors: Quintard Adrien , Rodriguez Jean
Published: January 2016

The scalable reaction between 1,3‐acetonedicarboxylic acid and alkyl aldehydes or benzaldehyde to keto‐3,3′‐diols represents a breakthrough from classical multistep procedures to an innovative one‐step approach.
ChemInform Abstract: Catalytic Transformation of Bio‐Derived Furans to Valuable Ketoacids and Diketones by Water‐Soluble Ruthenium Catalysts.
Authors: Gupta Kavita , Tyagi Deepika , Dwivedi Ambikesh D. , Mobin Shaikh M. , Singh Sanjay K.
Published: January 2016

Bio‐derived furans are efficiently and under moderate reaction conditions transformed into levulinic acid (III) and diketones [(II) and (IV)], resp., using recyclable and water‐soluble ruthenium(II) complexes as catalysts.
ChemInform Abstract: Design of an Indolylphosphine Ligand for Reductive Elimination‐Demanding Monoarylation of Acetone Using Aryl Chlorides.
Authors: Fu Wai Chung , So Chau Ming , Chow Wing Kin , Yuen On Ying , Kwong Fuk Yee
Published: January 2016

The title ligand in low loading applies to the reaction with aryl chlorides having different functional groups.
ChemInform Abstract: Cross‐Coupling Reaction of Aryl Diazonium Salts with Azodicarboxylate Using FeCl2.
Authors: Khalaj M. , Ghazanfarpour‐Darjani M.
Published: January 2016

Various N‐aryl hydrazides are easily and completely selectively obtained.
ChemInform Abstract: Cooperative Photo‐/Lewis Acid Catalyzed Tandem Intramolecular [3 + 2] Cross‐Cycloadditions of Cyclopropane 1,1‐Diesters with α,β‐Unsaturated Carbonyls for Medium‐Sized Carbocycles.
Authors: Wang Zhenjun , Chen Shuai , Ren Jun , Wang Zhongwen
Published: January 2016

The title reaction offers access to 8‐10‐membered carbocycle‐based oxabicyclo[n.2.1] skeletons.
ChemInform Abstract: Lewis Acid Catalyzed Formal Intramolecular [3 + 3] Cross‐Cycloaddition of Cyclopropane 1,1‐Diesters for Construction of Benzobicyclo[2.2.2]octane Skeletons.
Authors: Ma Weiwei , Fang Jie , Ren Jun , Wang Zhongwen
Published: January 2016

The reaction can be scaled up.
ChemInform Abstract: Direct Metal‐Free Synthesis of Diarylamines from 2‐Nitropropane via the Two Fold C—H Functionalization of Arenes.
Authors: Aksenov Alexander V. , Aksenov Nicolai A. , Orazova Naila A. , Aksenov Dmitrii A. , Dmitriev Maksim V. , Rubin Michael
Published: January 2016

A novel cascade transformation conveniently affording symmetrical diarylamines possessing electron‐rich substituents from easily available precursors is investigated.
ChemInform Abstract: H2O2 in WEB: A Highly Efficient Catalyst System for the Dakin Reaction.
Authors: Saikia Bishwajit , Borah Parinita , Barua Nabin Chandra
Published: January 2016

Various phenols are synthesized in high yields via Dakin oxidation of substituted hydroxylated benzaldehydes using neat water extract of banana as an all‐in‐one mixture of solvent, catalyst, ligand, base, additive, promoter etc.
ChemInform Abstract: Four‐Component Electrophilic Difunctionalization of Olefins Using Sulfonic Acids, Cyclic Ethers, and NBS.
Authors: Sohail Muhammad , Khan Muhammad , Zhang Yixin , Peng Chang , Chen Qin , Zhao Zongbao K.
Published: January 2016

The novel, highly regio‐ and diastereoselective four‐component reaction affords sulfonate ester derivatives.
ChemInform Abstract: An Organocatalysis Based Carbocyclic Spiroindoline Synthesis Enables Facile Structure—Activity Relationship (SAR) Study at C2 Position.
Authors: Zheng Yongsheng , Cleaveland Jacob , Richardson David , Yuan Yu
Published: January 2016

The products are obtained with high diastereomeric and excellent enantiomeric excess.
ChemInform Abstract: One‐Pot Two‐Step Cycloaddition Reaction for Convenient Synthesis of Polycyclic Spirooxindole‐Fused [1,3]Oxazines.
Authors: Sun Jing , Gong Hui , Yan Chaoguo
Published: January 2016

The novel spirooxindoline fused [1,3]oxazines (V) and (VI) are efficiently synthesized by an one‐pot two‐step domino reaction, which involves the sequential formation of a Huisgens 1,4‐dipole, 1,4‐dipolar cycloaddition and a Diels—Alder reaction.
ChemInform Abstract: Divergent Cyclization Reactions of Morita—Baylis—Hillman Carbonates of 2‐Cyclohexenone and Isatylidene Malononitriles.
Authors: Peng Jing , Ran Guang‐Yao , Du Wei , Chen Ying‐Chun
Published: January 2016

Zwitterionic dienolates generated from carbonates (II) in the presence of the corresponding organocatalyst undergo divergent cyclization reactions with isatylidene malononitriles.
ChemInform Abstract: Design of Highly Stable Iminophosphoranes as Recyclable Organocatalysts: Application to Asymmetric Chlorinations of Oxindoles.
Authors: Gao Xing , Han Jianwei , Wang Limin
Published: January 2016

The title catalysts are easily available, highly stable, and recyclable.
ChemInform Abstract: Synthesis of 4‐Arylidenepyrazolones by a Gold‐Catalyzed Cyclization/Arylidene Group Transfer Cascade of N‐Propioloyl Hydrazones.
Authors: Ding Zong‐Cang , Tang Hai‐Tao , Li Ren‐Hao , Ju Lu‐Chuan , Zhan Zhuang‐Ping
Published: January 2016

This approach towards preparation of arylidenepyrazolone derivatives relies on a gold‐catalyzed cyclization/1,3‐migration cascade.
ChemInform Abstract: A Three‐Component Synthesis of Aryl(heteroaryl)acylamides.
Authors: Loska Rafal , Bukowska Patrycja
Published: January 2016

A three‐component reaction of azole or azine N‐oxides with difluorostyrenes and amines affords title compounds in moderate to good yields.
ChemInform Abstract: Copper‐Catalyzed Inter‐ and Intramolecular C—N Bond Formation: Synthesis of Benzimidazole‐Fused Heterocycles.
Authors: Rasheed Sk. , Rao D. Nageswar , Das Parthasarathi
Published: January 2016

The reaction cascade combines a Chan—Lam type coupling and a subsequent Ullmann type coupling.
ChemInform Abstract: Clean Synthesis of N‐Pyrrolyl Azoles by Metal‐Free Oxidative Cross‐Coupling Using Recyclable Hypervalent Iodine Reagent.
Authors: Morimoto Koji , Ogawa Ryosuke , Koseki Daichi , Takahashi Yusuke , Dohi Toshifumi , Kita Yasuyuki
Published: January 2016

N‐Functionalized azoles are easily synthesized by an oxidative coupling reaction using the recyclable reagent TDIPA under metal‐free and mild reaction conditions.
ChemInform Abstract: Diastereoselective Synthesis of Angularly Fused Pyranochromenes.
Authors: Sarmah Barnali , Baishya Gakul , Hazarika Nabajyoti , Das Pranab Jyoti
Published: January 2016

2‐Hydroxy‐6‐methylhept‐5‐ene (I) reacts with salicylaldehydes (II), (IV), and (VI) under TfOH‐catalysis to the pyrano[3.2‐c]chromenes (III), (V), and (VII) in good yields and with high diastereoselectivities.
ChemInform Abstract: RhI/RhIII Catalyst‐Controlled Divergent Aryl/Heteroaryl C—H Bond Functionalization of Picolinamides with Alkynes.
Authors: Martinez Angel Manu , Echavarren Javier , Alonso Ines , Rodriguez Nuria , Gomez Arrayas Ramon , Carretero Juan C.
Published: January 2016

When Rh(I) catalyst is used, the C—H bonds of aryl groups of picolinamides [e.g. (I)] are functionalized to give ortho‐olefinated benzylamines [e.g. (II)] or phenethylamines [e.g. (XIII)].
ChemInform Abstract: Light Triggered Addition/Annulation of 2‐Isocyanobiphenyls Toward 6‐Trifluoromethyl‐phenanthridines under Photocatalyst‐Free Conditions.
Authors: Tang Xiangyang , Song Shuang , Liu Cuibo , Zhu Rongjiao , Zhang Bin
Published: January 2016

A simple and environmental benign direct light‐initiated one‐pot radical addition/annulation of 2‐isocyanobiphenyls is presented.
ChemInform Abstract: Sodium Salts of Anionic Chiral Cobalt(III) Complexes as Catalysts of the Enantioselective Povarov Reaction.
Authors: Yu Jie , Jiang Hua‐Jie , Zhou Ya , Luo Shi‐Wei , Gong Liu‐Zhu
Published: January 2016

Ring‐fused tetrahydroquinolines with up to three contiguous stereogenic centers are obtained in high yields, excellent diastereoselectivities, and high enantioselectivities, starting either from imines or aldehydes.
ChemInform Abstract: Construction of Benzo‐Fused Indolizines, Pyrrolo[1,2‐a]quinolines via Alkyne—Carbonyl Metathesis.
Authors: Nayak Maloy , Kim Ikyon
Published: January 2016

Sequential Sonogashira coupling of 2‐(2‐formylpyrrolyl)iodoarenes with terminal alkynes followed by intramolecular alkyne‐carbonyl metathesis reaction yields the title compounds.
ChemInform Abstract: Gold‐Catalyzed Formal [4π + 2π]‐Cycloadditions of Propiolate Derivatives with Unactivated Nitriles.
Authors: Karad Somnath Narayan , Chung Wei‐Kang , Liu Rai‐Shung
Published: January 2016

The title cycloadditions afford oxazinones [e.g. (III)] which are not easily accessible by using conventional methods.
ChemInform Abstract: Gold(I)‐Catalyzed Cycloisomerization of Vinylidenecyclopropane‐enes via Carbene or Non‐Carbene Processes.
Authors: Li De‐Yao , Wei Yin , Marek Ilan , Tang Xiang‐Ying , Shi Min
Published: January 2016

The aromatic ring tethered vinylidenecyclopropane‐enes with less electron‐rich ortho‐substituents [e.g. (I)], isomerize to fused heterocycle [e.g. (II)] via a gold carbene intermediate generated from a rearrangement of vinylidenecyclopropane moiety.
ChemInform Abstract: Catalytic Asymmetric Conjugate Addition of α‐Fluoro β‐Ketophosphonates to Nitroalkenes in the Presence of Nickel Complexes.
Authors: Sung Hyun Ji , Mang Joo Yang , Kim Dae Young
Published: January 2016

The reaction of α‐fluoro β‐ketophosphonates (I) with nitroalkenes [(II) or (IV), resp.] affords the corresponding Michael adducts [(III) or (V), resp.] in high yields, high diastereoselectivities and excellent enantioselectivities.
ChemInform Abstract: Asymmetric Total Synthesis of Propindilactone G.
Authors: Chen Jia‐Hua , et al.
Published: January 2016

Total synthesis and structural revision of (+)‐propindilactone G is presented.
ChemInform Abstract: Pestalotriols A and B, New Spiro[2.5]octane Derivatives from the Endophytic Fungus Pestalotiopsis fici.
Authors: Liu Ling , Zhao Chen , Li Li , Guo Liangdong , Che Yongsheng
Published: January 2016

Pestalotriols A and B are screened for their cytotoxicity against HeLa, A549, T24, and MCF‐7 human cancer cell lines.
ChemInform Abstract: Nitrogen‐Doped Carbon Electrocatalysts Decorated with Transition Metals for the Oxygen Reduction Reaction
Authors: Zhou Ruifeng , Jaroniec Mietek , Qiao Shi‐Zhang
Published: January 2016

Review: synthesis, characterization, and perfomance; 82 refs.
ChemInform Abstract: Green Synthesis of Nanoparticles: Current Prospectus
Authors: Thunugunta Tejaswi , Reddy Anand C. , Lakshmana Reddy D. C.
Published: January 2016

Review: 258 refs.
ChemInform Abstract: Recent Advances in Multinuclear Metal Nitrosyl Complexes
Authors: Li Lijuan , Li Linlin
Published: January 2016

Review: 180 refs.
ChemInform Abstract: Progress on Layered Hydrotalcite (HT) Materials as Potential Support and Catalytic Materials
Authors: Baskaran Thangaraj , Christopher Jayaraj , Sakthivel Ayyamperumal
Published: January 2016

Review: 193 refs.
ChemInform Abstract: Non‐Conjugated Polymer Dots with Crosslink‐Enhanced Emission in the Absence of Fluorophore Units
Authors: Zhu Shoujun , Song Yubin , Shao Jieren , Zhao Xiaohuan , Yang Bai
Published: January 2016

Review: [synthetic strategies, optical properties, and potential applications of non‐conjugated polymer dots in biology‐related fields; 47 refs.
ChemInform Abstract: Quinone‐Catalyzed Selective Oxidation of Organic Molecules
Authors: Wendlandt Alison E. , Stahl Shannon S.
Published: January 2016

Review: [122 refs.
ChemInform Abstract: 1,8‐Naphthyridine Derivatives: A Review of Multiple Biological Activities
Authors: Madaan Alka , Verma Ritu , Kumar Vivek , Singh Anu T. , Jain Swatantra K. , Jaggi Manu
Published: January 2016

Review: 199 refs.
ChemInform Abstract: Multi‐Platinum Anticancer Agents. Substitution‐Inert Compounds for Tumor Selectivity and New Targets
Authors: Farrell N. P.
Published: January 2016

Review: chemical, biophysical and cellular biologically properties of the title compounds; 50 refs.
ChemInform Abstract: Chemical Biology of Anticancer Gold(III) and Gold(I) Complexes
Authors: Zou Taotao , Lum Ching Tung , Lok Chun‐Nam , Zhang Jing‐Jing , Che Chi‐Ming
Published: January 2016

Review: 108 refs.
ChemInform Abstract: Ferrocifen Type Anticancer Drugs
Authors: Jaouen Gerard , Vessieres Anne , Top Siden
Published: January 2016

Review: 83 refs.
ChemInform Abstract: Linking the Future of Anticancer Metal‐Complexes to the Therapy of Tumor Metastases
Authors: Bergamo Alberta , Sava Gianni
Published: January 2016

Review: 187 refs.
ChemInform Abstract: Organic Photovoltaic Materials—Design, Synthesis and Scale‐Up
Authors: Wong Wallace W. H. , Banal James L. , Geraghty Paul B. , Hong Quentin , Zhang Bolong , Holmes Andrew B. , Jones David J.
Published: January 2016

Review: 63 refs.
ChemInform Abstract: Challenges in Computational Organic Chemistry
Authors: Bachrach Steven M.
Published: January 2016

Review: 35 refs.
ChemInform Abstract: Electrochemical Label‐Free Nucleotide Sensors
Authors: Aoki Hiroshi
Published: January 2016

Review: [97 refs.
ChemInform Abstract: Vibrational Raman Shifts and Aromaticity: The Case of Oligothiophenes
Authors: Casado Juan , Hernandez Victor , Lopez Navarrete Juan T.
Published: January 2016

Review: [46 refs.
ChemInform Abstract: On the Floquet‐Magnus Expansion: Applications in Solid‐State Nuclear Magnetic Resonance and Physics
Authors: Mananga Eugene Stephane , Charpentier Thibault
Published: January 2016

Review: 278 refs.
Numerische Untersuchungen der hydrodynamischen Dispersion in Kugelschüttungen aus porösen Mikropartikeln
Authors: Barthelmie Eugenia , Sdrenka Sebastian , Ma Yong , Brenner Gunther
Published: January 2016

In der vorliegenden Arbeit wird der Zusammenhang zwischen der Morphologie von Kugelschüttungen aus porösen Mikropartikeln und der hydrodynamischen Dispersion untersucht. Der Ansatz basiert auf der skalenauflösenden Berechnung der Navier‐Stokes‐Gleichungen mittels der Finite‐Volumen‐Methode und auf der lokalen Volumenmittelung zur Bestimmung der effektiven Transportgrößen. Die Ergebnisse zeigen, dass mit der Einführung von Transportporen in einer Kugelpackung die Dispersion deutlich gesteigert werden kann.
Biomechanical model for computing deformations for whole‐body image registration: A meshless approach
Authors: Li Mao , Miller Karol , Joldes Grand Roman , Kikinis Ron , Wittek Adam
Published: January 2016

Patient‐specific biomechanical models have been advocated as a tool for predicting deformations of soft body organs/tissue for medical image registration (aligning two sets of images) when differences between the images are large. However, complex and irregular geometry of the body organs makes generation of patient‐specific biomechanical models very time‐consuming. Meshless discretisation has been proposed to solve this challenge. However, applications so far have been limited to 2D models and computing single organ deformations. In this study, 3D comprehensive patient‐specific nonlinear biomechanical models implemented using meshless Total Lagrangian explicit dynamics algorithms are applied to predict a 3D deformation field for whole‐body image registration. Unlike a conventional approach that requires dividing (segmenting) the image into non‐overlapping constituents representing different organs/tissues, the mechanical properties are assigned using the fuzzy c‐means algorithm without the image segmentation. Verification indicates that the deformations predicted using the proposed meshless approach are for practical purposes the same as those obtained using the previously validated finite element models. To quantitatively evaluate the accuracy of the predicted deformations, we determined the spatial misalignment between the registered (i.e. source images warped using the predicted deformations) and target images by computing the edge‐based Hausdorff distance. The Hausdorff distance‐based evaluation determines that our meshless models led to successful registration of the vast majority of the image features. Copyright © 2016 John Wiley & Sons, Ltd.
Multidimensional Polyaniline/Reduced Graphene Oxide/Silica Nanocomposite for Efficient Supercapacitor Electrodes
Authors: Kim Jihoo , Kim Minkyu , Cho Sunghun , Yoon Chang‐Min , Lee Choonghyeon , Ryu Jaehoon , Jang Jyongsik
Published: January 2016

The combination of reduced graphene oxide (RGO) with silica nanoparticles as shaping agents results in an enhanced surface area of RGO by the inhibition of π–π stacking between the RGO sheets, leading to enhanced electrochemical properties of the polyaniline/RGO/silica nanocomposite. The nanocomposite exhibits a multidimensional structure, in which urchin‐like polyaniline nanofibers are grown on the RGO ball and the surface of the silica nanoparticle is entirely sealed with the polyaniline and RGO sheets. The nanocomposite also demonstrates efficient electrochemical properties due to the enhanced surface area, electrical conductivity, and synergetic effects between RGO and polyaniline. This method could pave the way to the development of advanced devices for energy‐storage systems.
Kinetic Passivation Effect of Localized Differential Aeration on Brass
Authors: Kuznetsov Volodymyr , Estrada‐Vargas Arturo , Maljusch Artjom , Berkes Balázs B. , Bandarenka Aliaksandr S. , Souto Ricardo M. , Schuhmann Wolfgang
Published: January 2016

Invited for this month's cover are collaborators from Ruhr University Bochum (Germany), Technical University Munich (Germany), and University of La Laguna, Tenerife (Spain). The cover picture shows the passivation effect of a liquid in a brass tube in the presence of oxygen in the gas phase. Read the full text of the article at 10.1002/cplu.201500398.
Enhanced Organic Solar Cell Stability through the Effective Blocking of Oxygen Diffusion using a Self‐Passivating Metal Electrode
Authors: Lee Hansol , Jo Sae Byeok , Lee Hyo Chan , Kim Min , Sin Dong Hun , Ko Hyomin , Cho Kilwon
Published: January 2016

A new and simple strategy for enhancing the stability of organic solar cells (OSCs) was developed by using self‐passivating metal top electrodes. Systematic investigations on O2 permeability of Al top electrodes revealed that the main pathways for oxidation‐induced degradation could be greatly suppressed by simply controlling the nanoscale morphology of the Al electrode. The population of nanoscale pinholes among Al grains, which critically decided the diffusion of O2 molecules toward the Al–organic interfaces that are vulnerable to oxidation, was successfully regulated by rapidly depositing Al or promoting lateral growth among the Al grains, accompanied by increasing the deposition thickness. Our observations suggested that the stability of OSCs with conventional architectures might be greatly enhanced simply by controlling the fabrication conditions of the Al top electrode, without the aid of additional secondary treatments.
Lead your unit with vision, planning
Authors: Hope Joan
Published: January 2016

“Have a vision, have a plan, and then work on it every day.” That's how Chandana Wirasinghe described the path to success as a dean.
Development and Application of a Sensor Based on Carbonaceous Materials and Cobalt Phthalocyanine Composite for Electrochemical Determination of Uric Acid
Authors: de Fátima Giarola Juliana , César Pereira Arnaldo
Published: January 2016

In the present paper a voltammetric sensor based on glassy carbon electrode (GCE) and cobalt phthalocyanine (CoPc)/multiwalled carbon nanotube (MWCNT) composite has been successfully prepared for uric acid (UA) determination in real samples. The electrochemical behavior of UA at the GCE‐CoPc/MWCNT has been evaluated by employing cyclic voltammetry. The charge transfer coefficient, α, and the charge transfer rate constant, κs, for electron transfer between CoPc/MWCNT and GCE were calculated as 0.49 and 19.5±0.51 s−1, respectively. Under optimized conditions (pH 7.0 in 0.10 mol L−1 phosphate buffer) the best technique was the square wave voltammetry and responds linearly to UA from 0.2 up to 1.0 mmol L−1 (r=0.997) and 1.25 up to 4.0 mmol L−1 (r=0.991) with limits of detection and quantification of 0.26 and 0.86 mmol L−1, respectively. The developed method was successfully applied for UA determination in real samples of human urine. The modified electrode exhibits sensitive and stable responses and does not show interferences in presence of dopamine and ascorbic acid.
Prussian Blue and Chitosan Modified Carbon Cloth Electrode as a High Performance Sensor of Ascorbic Acid
Authors: Yue Pengwei , Tricard Simon , He Sifa , Wang Ning , Zhao Jihua , Fang Jian , Shen Weiguo
Published: January 2016

The modification of carbon cloth (CC) with Prussian blue (PB) and chitosan (CS) leads to the elaboration of a composite electrode (PB/CS/CC), employed to electrocatalyze the oxidation of ascorbic acid (AA). This electrode exhibits great performances towards the AA detection, thanks to the good conductivity of CC and the efficient catalytic properties of PB. The modified electrode shows a rapid response of less than 2 s, a very high sensitivity of 1.64 A ⋅ M−1 and a good resistance towards common interferences. Its linear range goes from 3×10−7 M to 3×10−4 M (R2=0.993), with a detection limit (S/N=3) of 2.50×10−7 M. Finally, such electrode can detect AA in commercial vitamin C; it is thus a good candidate as a simple and convenient sensor for general applications.
The future of higher education is now
Authors: Dennis Marguerite J.
Published: January 2016

To anticipate and enroll students in the future, it is necessary to define the college student of today and tomorrow.
Reinforcer choice as an antecedent versus consequence
Authors: Peterson Charles , Lerman Dorothea C. , Nissen Melissa A.
Published: January 2016

Four children with autism received opportunities to choose among several preferred stimuli either immediately before or after task responding. The response requirement for reinforcement systematically increased within each session. Two children engaged in higher levels of responding when reinforcement choice was provided as an antecedent to task completion, and 3 of the 4 children showed a preference for the antecedent choice condition.
Effects of treatment‐integrity failures on a response‐cost procedure
Authors: St. Peter Claire C. , Byrd Jeffrey D. , Pence Sacha T. , Foreman Apral P.
Published: January 2016

Effects of incorrect or partial implementation (poor treatment integrity) on response cost are largely unknown. We evaluated reduced treatment integrity during response cost on rates of 2 concurrently available responses. College students earned points by clicking on either a black circle or a red circle on a computer screen. Experiment 1 compared 2 types of treatment‐integrity failures (omission and commission errors) across 2 levels of integrity (20% and 50%). Compared to 100% integrity conditions, omission errors did not suppress responding to the same extent, and commission errors reduced target responding but also decreased rates of alternative behavior. Experiment 2 compared the effects of 20% and 50% omission errors within subjects. Implementation at 50% integrity adequately suppressed responding, but treatment effects were lost at 20% integrity. There may be a critical level at which response cost must be implemented to suppress responding, which has important implications for application.
Evaluation of multiple schedules with naturally occurring and therapist‐arranged discriminative stimuli following functional communication training
Authors: Shamlian Kenneth D. , Fisher Wayne W. , Steege Mark W. , Cavanaugh Brenna M. , Samour Kristina , Querim Angie C.
Published: January 2016

Many studies have shown that (a) functional communication training (FCT) is effective for reducing problem behavior, and (b) multiple schedules can facilitate reinforcer schedule thinning during FCT. Most studies tha have used multiple schedules with FCT have included therapist‐arranged stimuli (e.g., colored cards) as the discriminative stimuli (SDs), but recently, researchers have evaluated similar multiple‐schedule training procedures with naturally occurring SDs (e.g., overt therapist behavior). The purposes of the current study were to compare the effects of arranged and naturally occurring SDs directly during (a) acquisition of discriminated functional communication responses (FCRs) and (b) generalization of discriminated FCRs when we introduced the multiple schedules in novel contexts in which the naturally occurring stimuli were either relatively easy or difficult to discriminate. Results showed that (a) 2 of 3 participants acquired discriminated responding of the FCR more rapidly with arranged than with naturally occurring stimuli, (b) 2 of 3 participants showed resurgence of problem behavior , and (c) 2 of 3 participants showed greater generalization of discriminated responding to novel contexts with arranged stimuli than with naturally occurring stimuli. We discuss these results relative to the conditions under which naturally occurring and arranged SDs may promote rapid and generalized treatment gains.
Anticipation, Tax Avoidance, and the Price Elasticity of Gasoline Demand
Authors: Coglianese John , Davis Lucas W. , Kilian Lutz , Stock James H.
Published: January 2016

Least‐squares estimates of the response of gasoline consumption to a change in the gasoline price are biased toward zero, given the endogeneity of gasoline prices. A seemingly natural solution to this problem is to instrument for gasoline prices using gasoline taxes, but this approach tends to yield implausibly large price elasticities. We demonstrate that anticipatory behavior provides an important explanation for this result. Gasoline buyers increase purchases before tax increases and delay purchases before tax decreases, rendering the tax instrument endogenous. Including suitable leads and lags in the regression restores the validity of the IV estimator, resulting in much lower elasticity estimates. Copyright © 2016 John Wiley & Sons, Ltd.
Polyglucosan Molecules Induce Mitochondrial Impairment and Apoptosis in Germ Cells Without Affecting the Integrity and Functionality of Sertoli Cells
Authors: Villarroel‐Espíndola Franz , Tapia Cynthia , González‐Stegmaier Roxana , Concha Ilona I. , Slebe Juan Carlos
Published: January 2016

Glycogen is the main storage form of glucose; however, the accumulation of glycogen‐like glucose polymers can lead to degeneration and cellular death. Previously, we reported that the accumulation of glycogen in testis of transgenic animals overexpressing a constitutively active form of glycogen synthase enhances the apoptosis of pre‐meiotic male germ cells and a complete disorganization of the seminiferous tubules. Here we sought to further identify the effects of glycogen storage in cells from the seminiferous tubules and the mechanism behind the pro‐apoptotic activity induced by its accumulation. Using an in vitro culture of Sertoli cells (line 42GPA9) and spermatocyte‐like cells (line GC‐1) expressing a superactive form of glycogen synthase or the Protein Targeting to Glycogen (PTG), we found that glycogen synthesized in both cell lines is poorly branched. In addition, the immunodetection of key molecules of apoptotic events suggests that cellular death induced by polyglucosan molecules affects GC‐1 cells, but not 42GPA9 cells by mitochondrial impairment and activation of an intrinsic apoptotic pathway. Furthermore, we analyzed the effects of glycogen deposition during the establishment of an in vitro blood‐testis barrier. The results using a non‐permeable fluorescent molecule showed that, in conditions of over‐synthesis of glycogen, 42GPA9 cells do not lose their capacity to generate an impermeable barrier and the levels of connexin43, occludin, and ZO1 proteins were not affected. These results suggest that the accumulation of polyglucosan molecules has a selective effect—triggered by the intrinsic activation of the apoptotic pathway—in germ cells without directly affecting Sertoli cells. J. Cell. Physiol. 231: 2142–2152, 2016. © 2016 Wiley Periodicals, Inc.
Metabolic Modification in Gastrointestinal Cancer Stem Cells: Characteristics and Therapeutic Approaches
Authors: Di Francesco Angela Maria , Toesca Amelia , Cenciarelli Carlo , Giordano Antonio , Gasbarrini Antonio , Puglisi Maria Ausiliatrice
Published: January 2016

Currently, there is much interest in the characterization of metabolic profiling of cancer stem cells (CSCs), a small subset of tumor cells with self‐renewal capacity. Indeed, ever‐growing evidence indicate that metabolism and stemness are highly intertwined processes in tumor tissue. In this review, we analyze the potential metabolic targeting strategies for eradicating CSCs that could help to develop a more effective therapeutic approach for gastrointestinal cancers. Indeed, the successful elimination of a tumor requires an anticancer therapy that affects both cancer cells and CSCs. The observation that gastrointestinal CSCs possess higher inducible nitric oxide sinthase (iNOS) expression, lower reactive oxygen species (ROS) production, and a different metabolism respect to no‐CSCs tumor cells has paved the way to develop drugs targeting CSC specific signaling. In particular, several studies have highlighted that metformin, aldehyde dehydrogenase 1, and iNOS inhibitors selectively suppressed CSC growth and that combinatorial therapy of them with standard chemotherapeutic drugs had a synergistic effect resulting in reduced tumor burden and delayed tumor recurrence. Thus, the possibility of combining specific CSC metabolism inhibitors with existing therapeutic approaches could have profound anticancer effects, changing the conventional treatment approaches to gastrointestinal cancers. J. Cell. Physiol. 231: 2081–2087, 2016. © 2016 Wiley Periodicals, Inc.
Utilization of 2‐Chloronicotinonitrile in the Syntheses of Novel Fused Bicyclic and Polynuclear Heterocycles of Anticipated Antitumor Activity
Authors: Hamama Wafaa S. , Waly Mohamed A. , El‐Hawary Ibrahim I. , Zoorob Hanafi H.
Published: January 2016

Some of synthetic bicyclic and polynuclear heterocyclic compounds based on pyridine scaffold were tested as in vitro antitumor agents, and these compounds found to exhibit interesting activities. Fused heterocycles containing sulfur such as thienopyridine, pyridothiazine, and some related fused heterocycles as new ring systems were achieved. Bicyclic thienopyridine 6 and pyrido[3,2‐e][1,3]thiazin‐4(3H)‐one 7 exhibited good antitumor activities compared with 5‐fluorouracil.
Ultrasound of paediatric appendicitis and its secondary sonographic signs: providing a more meaningful finding
Authors: Reddan Tristan , Corness Jonathan , Mengersen Kerrie , Harden Fiona
Published: January 2016

Sonography is an important clinical tool in diagnosing appendicitis in children as it can obviate both exposure to potentially harmful ionising radiation from computed tomography scans and the need for unnecessary appendicectomies. This review examines the diagnostic accuracy of ultrasound in the identification of acute appendicitis, with a particular focus on the the utility of secondary sonographic signs as an adjunct or corollary to traditionally examined criteria. These secondary signs can be important in cases where the appendix cannot be identified with ultrasound and a more meaningful finding may be made by incorporating the presence or absence of secondary sonographic signs. There is evidence that integrating these secondary signs into the final ultrasound diagnosis can improve the utility of ultrasound in cases where appendicitis is expected, though there remains some conjecture about whether they play a more important role in negative or positive prediction in the absence of an identifiable appendix.
A comparison of three different VMAT techniques for the delivery of lung stereotactic ablative radiation therapy
Authors: Fitzgerald Rhys , Owen Rebecca , Hargrave Catriona , Pryor David , Barry Tamara , Lehman Margot , Bernard Anne , Mai Tao , Seshadri Venkatakrishnan , Fielding Andrew
Published: January 2016

Introduction

The purpose of this study was to investigate coplanar and non‐coplanar volumetric modulated arc therapy (VMAT) delivery techniques for stereotactic ablative radiation therapy (SABR) to the lung.

Methods

For ten patients who had already completed a course of radiation therapy for early stage lung cancer, three new SABR treatment plans were created using (1) a coplanar full arc (FA) technique, (2) a coplanar partial arc technique (PA) and (3) a non‐coplanar technique utilising three partial arcs (NCA). These plans were evaluated using planning target volume (PTV) coverage, dose to organs at risk, and high and intermediate dose constraints as incorporated by radiation therapy oncology group (RTOG) 1021.

Results

When the FA and PA techniques were compared to the NCA technique, on average the PTV coverage (V54Gy) was similar (P = 0.15); FA (95.1%), PA (95.11%) and NCA (95.71%). The NCA resulted in a better conformity index (CI) of the prescription dose (0.89) when compared to the FA technique (0.88, P = 0.23) and the PA technique (0.83, P = 0.06). The NCA technique improved the intermediate dose constraints with a statistically significant difference for the D2cm and R50% when compared with the FA (P < 0.03 and <0.0001) and PA (P < 0.04 and <0.0001) techniques. The NCA technique reduced the maximum spinal cord dose by 2.72 and 4.2 Gy when compared to the PA and FA techniques respectively. Mean lung doses were 4.09, 4.31 and 3.98 Gy for the FA, PA and NCA techniques respectively.

Conclusion

The NCA VMAT technique provided the highest compliance to RTOG 1021 when compared to coplanar techniques for lung SABR. However, single FA coplanar VMAT was suitable for 70% of patients when minor deviations to both the intermediate dose and organ at risk (OAR) constraints were accepted.